1-(4-methylphenyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide

Systemtic Name: 1-(4-methylphenyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide Openeye Name: 3-phenyl-1-(p-tolyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide CAS Name: 1-(4-methylphenyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide IUPAC Name: 1-(4-methylphenyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide Traditional Name: 3-phenyl-1-(p-tolyl)-6,7,8,9-tetrahydro-5H-imidaz[1,2-a]azepin-4-ium bromide Formula: C21H23BrN2 MolecularWeight: 383.32472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C([N+]3=C2CCCCC3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C([N+]3=C2CCCCC3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C21H23N2.BrH/c1-17-11-13-19(14-12-17)23-16-20(18-8-4-2-5-9-18)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