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

Systemtic Name: 1-[(4-nitrophenyl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium Openeye Name: 1-[(4-nitrophenyl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium CAS Name: 1-[(4-nitrophenyl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium IUPAC Name: 1-[(4-nitrophenyl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium Traditional Name: 1-(4-nitrobenzyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidaz[1,2-a]azepin-1-ium Formula: C21H22N3O2+ MolecularWeight: 348.41828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=[N+](C=C(N2CC1)C3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=[N+](C=C(N2CC1)C3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N3O2/c25-24(26)19-12-10-17(11-13-19)15-22-16-20(18-7-3-1-4-8-18)23-14-6-2-5-9-21(22)23/h1,3-4,7-8,10-13,16H,2,5-6,9,14-15H2/q+1