2-(4-methoxyphenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide

Systemtic Name: 2-(4-methoxyphenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide Openeye Name: 2-(4-methoxyphenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide CAS Name: 2-(4-methoxyphenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide IUPAC Name: 2-(4-methoxyphenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide Traditional Name: 2-(4-methoxyphenyl)-1-phenyl-6,7,8,9-tetrahydro-5H-imidaz[1,2-a]azepin-4-ium bromide Formula: C21H23BrN2O MolecularWeight: 399.32412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C[N+]3=C(N2C4=CC=CC=C4)CCCCC3.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=C[N+]3=C(N2C4=CC=CC=C4)CCCCC3.[Br-]

InChI

InChI=1S/C21H23N2O.BrH/c1-24-19-13-11-17(12-14-19)20-16-22-15-7-3-6-10-21(22)23(20)18-8-4-2-5-9-18;/h2,4-5,8-9,11-14,16H,3,6-7,10,15H2,1H3;1H/q+1;/p-1