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

Systemtic Name: propan-2-yl 2-[3-[3-(2-azanyl-2-oxidanylidene-1,1-diphenyl-ethyl)cyclopentyl]-2-methyl-imidazol-1-ium-1-yl]ethanoate bromide Openeye Name: isopropyl 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 propan-2-yl ester bromide IUPAC Name: propan-2-yl 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 isopropyl ester bromide Formula: C28H34BrN3O3 MolecularWeight: 540.49186

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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(C)C.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O3.BrH/c1-20(2)34-26(32)19-30-16-17-31(21(30)3)25-15-14-24(18-25)28(27(29)33,22-10-6-4-7-11-22)23-12-8-5-9-13-23;/h4-13,16-17,20,24-25H,14-15,18-19H2,1-3H3,(H-,29,33);1H