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

Systemtic Name: phenyl 2-[3-(4-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium-1-yl]ethanoate Openeye Name: phenyl 2-[3-(4-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium-1-yl]acetate CAS Name: 2-[3-(4-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium-1-yl]acetic acid phenyl ester IUPAC Name: phenyl 2-[3-(4-bromophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium-1-yl]acetate Traditional Name: 2-[3-(4-bromophenyl)-6,7,8,9-tetrahydro-5H-imidaz[1,2-a]azepin-1-ium-1-yl]acetic acid phenyl ester Formula: C22H22BrN2O2+ MolecularWeight: 426.32628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=[N+](C=C(N2CC1)C3=CC=C(C=C3)Br)CC(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CCC2=[N+](C=C(N2CC1)C3=CC=C(C=C3)Br)CC(=O)OC4=CC=CC=C4

InChI

InChI=1S/C22H22BrN2O2/c23-18-12-10-17(11-13-18)20-15-24(21-9-5-2-6-14-25(20)21)16-22(26)27-19-7-3-1-4-8-19/h1,3-4,7-8,10-13,15H,2,5-6,9,14,16H2/q+1