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

Systemtic Name: 3-(4-ethoxyphenyl)-1-phenyl-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide Openeye Name: 3-(4-ethoxyphenyl)-1-phenyl-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide CAS Name: 3-(4-ethoxyphenyl)-1-phenyl-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide IUPAC Name: 3-(4-ethoxyphenyl)-1-phenyl-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide Traditional Name: 1-phenyl-3-p-phenetyl-2,5,6,7,8,9-hexahydroimidaz[1,2-a]azepin-4-ium-3-ol bromide Formula: C22H27BrN2O2 MolecularWeight: 431.36598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N2O2.BrH/c1-2-26-20-14-12-18(13-15-20)22(25)17-23(19-9-5-3-6-10-19)21-11-7-4-8-16-24(21)22;/h3,5-6,9-10,12-15,25H,2,4,7-8,11,16-17H2,1H3;1H/q+1;/p-1