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

Systemtic Name: 3-(4-methoxyphenyl)-1-phenyl-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide Openeye Name: 3-(4-methoxyphenyl)-1-phenyl-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide CAS Name: 3-(4-methoxyphenyl)-1-phenyl-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide IUPAC Name: 3-(4-methoxyphenyl)-1-phenyl-2,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-3-ol bromide Traditional Name: 3-(4-methoxyphenyl)-1-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=C(C=C1)C2(CN(C3=[N+]2CCCCC3)C4=CC=CC=C4)O.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C2(CN(C3=[N+]2CCCCC3)C4=CC=CC=C4)O.[Br-]

InChI

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