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

Systemtic Name: 3-(4-ethoxyphenyl)-1-(4-methylphenyl)-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide Openeye Name: 3-(4-ethoxyphenyl)-1-(p-tolyl)-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide CAS Name: 3-(4-ethoxyphenyl)-1-(4-methylphenyl)-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide IUPAC Name: 3-(4-ethoxyphenyl)-1-(4-methylphenyl)-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide Traditional Name: 3-p-phenetyl-1-(p-tolyl)-2,5,6,7,8,9-hexahydroimidaz[1,2-a]azepin-4-ium-3-ol bromide Formula: C23H29BrN2O2 MolecularWeight: 445.39256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2(CN(C3=[N+]2CCCCC3)C4=CC=C(C=C4)C)O.[Br-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2(CN(C3=[N+]2CCCCC3)C4=CC=C(C=C4)C)O.[Br-]

InChI

InChI=1S/C23H29N2O2.BrH/c1-3-27-21-14-10-19(11-15-21)23(26)17-24(20-12-8-18(2)9-13-20)22-7-5-4-6-16-25(22)23;/h8-15,26H,3-7,16-17H2,1-2H3;1H/q+1;/p-1