2-(3-nitrophenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium

Systemtic Name: 2-(3-nitrophenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium Openeye Name: 2-(3-nitrophenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium CAS Name: 2-(3-nitrophenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium IUPAC Name: 2-(3-nitrophenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium Traditional Name: 2-(3-nitrophenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidaz[1,2-a]azepin-4-ium Formula: C20H20N3O2+ MolecularWeight: 334.3917

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N3O2/c24-23(25)18-11-7-8-16(14-18)19-15-21-13-6-2-5-12-20(21)22(19)17-9-3-1-4-10-17/h1,3-4,7-11,14-15H,2,5-6,12-13H2/q+1