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

Systemtic Name: (3S)-1-(4-methylphenyl)-3-(3-nitrophenyl)-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol Openeye Name: (3S)-3-(3-nitrophenyl)-1-(p-tolyl)-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol CAS Name: (3S)-1-(4-methylphenyl)-3-(3-nitrophenyl)-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol IUPAC Name: (3S)-1-(4-methylphenyl)-3-(3-nitrophenyl)-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol Traditional Name: (3S)-3-(3-nitrophenyl)-1-(p-tolyl)-2,5,6,7,8,9-hexahydroimidaz[1,2-a]azepin-4-ium-3-ol Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC([N+]3=C2CCCCC3)(C4=CC(=CC=C4)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)N2C[C@]([N+]3=C2CCCCC3)(C4=CC(=CC=C4)[N+](=O)[O-])O

InChI

InChI=1S/C21H24N3O3/c1-16-9-11-18(12-10-16)22-15-21(25,23-13-4-2-3-8-20(22)23)17-6-5-7-19(14-17)24(26)27/h5-7,9-12,14,25H,2-4,8,13,15H2,1H3/q+1/t21-/m1/s1