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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide Openeye Name: 3-(3,4-dimethoxyphenyl)-1-(p-tolyl)-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide CAS Name: 3-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide IUPAC Name: 3-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide Traditional Name: 3-(3,4-dimethoxyphenyl)-1-(p-tolyl)-2,5,6,7,8,9-hexahydroimidaz[1,2-a]azepin-4-ium-3-ol bromide Formula: C23H29BrN2O3 MolecularWeight: 461.39196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N2O3.BrH/c1-17-8-11-19(12-9-17)24-16-23(26,25-14-6-4-5-7-22(24)25)18-10-13-20(27-2)21(15-18)28-3;/h8-13,15,26H,4-7,14,16H2,1-3H3;1H/q+1;/p-1