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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2(C([N+]3=C(N2C4=CC=C(C=C4)OC)CCCCC3)C)O.[Br-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2(C([N+]3=C(N2C4=CC=C(C=C4)OC)CCCCC3)C)O.[Br-]

InChI

InChI=1S/C24H31N2O3.BrH/c1-4-29-22-13-9-19(10-14-22)24(27)18(2)25-17-7-5-6-8-23(25)26(24)20-11-15-21(28-3)16-12-20;/h9-16,18,27H,4-8,17H2,1-3H3;1H/q+1;/p-1