phenyl 2-[3-[3-(2-azanyl-2-oxidanylidene-1,1-diphenyl-ethyl)cyclopentyl]-2-methyl-imidazol-1-ium-1-yl]ethanoate bromide

Systemtic Name: phenyl 2-[3-[3-(2-azanyl-2-oxidanylidene-1,1-diphenyl-ethyl)cyclopentyl]-2-methyl-imidazol-1-ium-1-yl]ethanoate bromide Openeye Name: phenyl 2-[3-[3-(2-amino-2-oxo-1,1-diphenyl-ethyl)cyclopentyl]-2-methyl-imidazol-1-ium-1-yl]acetate bromide CAS Name: 2-[3-[3-(2-amino-2-oxo-1,1-diphenylethyl)cyclopentyl]-2-methyl-1-imidazol-1-iumyl]acetic acid phenyl ester bromide IUPAC Name: phenyl 2-[3-[3-(2-amino-2-oxo-1,1-diphenylethyl)cyclopentyl]-2-methylimidazol-1-ium-1-yl]acetate bromide Traditional Name: 2-[3-[3-(2-amino-2-keto-1,1-diphenyl-ethyl)cyclopentyl]-2-methyl-imidazol-1-ium-1-yl]acetic acid phenyl ester bromide Formula: C31H32BrN3O3 MolecularWeight: 574.50808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1C2CCC(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)N)CC(=O)OC5=CC=CC=C5.[Br-]

Isomeric SMILES

CC1=[N+](C=CN1C2CCC(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)N)CC(=O)OC5=CC=CC=C5.[Br-]

InChI

InChI=1S/C31H31N3O3.BrH/c1-23-33(22-29(35)37-28-15-9-4-10-16-28)19-20-34(23)27-18-17-26(21-27)31(30(32)36,24-11-5-2-6-12-24)25-13-7-3-8-14-25;/h2-16,19-20,26-27H,17-18,21-22H2,1H3,(H-,32,36);1H