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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide Openeye Name: 3-(3,4-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide CAS Name: 3-(3,4-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide IUPAC Name: 3-(3,4-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide Traditional Name: 3-(3,4-dimethoxyphenyl)-1-(2,3-dimethylphenyl)-2,5,6,7,8,9-hexahydroimidaz[1,2-a]azepin-4-ium-3-ol bromide Formula: C24H31BrN2O3 MolecularWeight: 475.41854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N2O3.BrH/c1-17-9-8-10-20(18(17)2)25-16-24(27,26-14-7-5-6-11-23(25)26)19-12-13-21(28-3)22(15-19)29-4;/h8-10,12-13,15,27H,5-7,11,14,16H2,1-4H3;1H/q+1;/p-1