1-(4-bromophenyl)-2-(4-nitrophenyl)-3,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-2-ol

Systemtic Name: 1-(4-bromophenyl)-2-(4-nitrophenyl)-3,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-2-ol Openeye Name: 1-(4-bromophenyl)-2-(4-nitrophenyl)-3,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-2-ol CAS Name: 1-(4-bromophenyl)-2-(4-nitrophenyl)-3,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-2-ol IUPAC Name: 1-(4-bromophenyl)-2-(4-nitrophenyl)-3,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-2-ol Traditional Name: 1-(4-bromophenyl)-2-(4-nitrophenyl)-3,5,6,7,8,9-hexahydroimidaz[1,2-a]azepin-4-ium-2-ol Formula: C20H21BrN3O3+ MolecularWeight: 431.30304

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=[N+](CC1)CC(N2C3=CC=C(C=C3)Br)(C4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

C1CCC2=[N+](CC1)CC(N2C3=CC=C(C=C3)Br)(C4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C20H21BrN3O3/c21-16-7-11-17(12-8-16)23-19-4-2-1-3-13-22(19)14-20(23,25)15-5-9-18(10-6-15)24(26)27/h5-12,25H,1-4,13-14H2/q+1