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

Systemtic Name: methyl 2-[3-[3-(2-azanyl-2-oxidanylidene-1,1-diphenyl-ethyl)cyclopentyl]-2-methyl-imidazol-1-ium-1-yl]ethanoate bromide Openeye Name: methyl 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 methyl ester bromide IUPAC Name: methyl 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 methyl ester bromide Formula: C26H30BrN3O3 MolecularWeight: 512.4387

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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)OC.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O3.BrH/c1-19-28(18-24(30)32-2)15-16-29(19)23-14-13-22(17-23)26(25(27)31,20-9-5-3-6-10-20)21-11-7-4-8-12-21;/h3-12,15-16,22-23H,13-14,17-18H2,1-2H3,(H-,27,31);1H