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

Systemtic Name: 1-(4-methoxyphenyl)-2-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide Openeye Name: 1-(4-methoxyphenyl)-2-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide CAS Name: 1-(4-methoxyphenyl)-2-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide IUPAC Name: 1-(4-methoxyphenyl)-2-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide Traditional Name: 1-(4-methoxyphenyl)-2-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)N2C3=[N+](CCCCC3)C=C2C4=CC=CC=C4.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=[N+](CCCCC3)C=C2C4=CC=CC=C4.[Br-]

InChI

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