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1-(3-chlorophenyl)-3-hydroxy-3-(3-nitrophenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium

Catalog ID
STL329776
SMILES Clc1cccc(c1)[N+]1=C2CCCCCN2C(C1)(O)c1cccc(c1)[N+](=O)[O-]

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C20H21ClN3O3 MW 386.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN3O3/c21-16-7-5-8-17(13-16)22-14-20(25,23-11-3-1-2-10-19(22)23)15-6-4-9-18(12-15)24(26)27/h4-9,12-13,25H,1-3,10-11,14H2/q+1
InChIKey
SOKASIUISDQXSB-UHFFFAOYSA-N
Synonyms

1(3chlorophenyl)3(3nitrophenyl)256789hexahydroimidazo(12a)azepin4ium3ol
1(3chlorophenyl)3hydroxy3(3nitrophenyl)256789hexahydro3Himidazo(12a)azepin1ium
1(3chlorophenyl)3hydroxy3(3nitrophenyl)356789hexahydro2Himidazo(12a)azepin1iumbromide
C1CCC2=(N+)(CC1)C(CN2C3=CC(=CC=C3)Cl)(C4=CC(=CC=C4)(N+)(=O)(O))O
Clc1cccc(c1)(N+)1=C2CCCCCN2C(C1)(O)c1cccc(c1)(N+)(=O)(O)
Clc1cccc(c1)(N+)1=C2CCCCCN2C(C1)(O)c1cccc(c1)(N+)(=O)(O)(Br)
InChI=1SC20H21ClN3O3c211675817(1316)221420(2523113121019(22)23)1564918(1215)24(26)27h49121325H13101114H2q+1
MFCD02987436
ZINC000017180044
ZINC000017180046

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Available files

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