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

Systemtic Name: 1-(2-methoxyphenyl)-3-phenyl-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide Openeye Name: 1-(2-methoxyphenyl)-3-phenyl-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide CAS Name: 1-(2-methoxyphenyl)-3-phenyl-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide IUPAC Name: 1-(2-methoxyphenyl)-3-phenyl-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide Traditional Name: 1-(2-methoxyphenyl)-3-phenyl-2,5,6,7,8,9-hexahydroimidaz[1,2-a]azepin-4-ium-3-ol bromide Formula: C21H25BrN2O2 MolecularWeight: 417.3394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC([N+]3=C2CCCCC3)(C4=CC=CC=C4)O.[Br-]

Isomeric SMILES

COC1=CC=CC=C1N2CC([N+]3=C2CCCCC3)(C4=CC=CC=C4)O.[Br-]

InChI

InChI=1S/C21H25N2O2.BrH/c1-25-19-13-8-7-12-18(19)22-16-21(24,17-10-4-2-5-11-17)23-15-9-3-6-14-20(22)23;/h2,4-5,7-8,10-13,24H,3,6,9,14-16H2,1H3;1H/q+1;/p-1