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

Systemtic Name: ethyl 2-[3-[3-(2-azanyl-2-oxidanylidene-1,1-diphenyl-ethyl)cyclopentyl]-2-methyl-imidazol-1-ium-1-yl]ethanoate bromide Openeye Name: ethyl 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 ethyl ester bromide IUPAC Name: ethyl 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 ethyl ester bromide Formula: C27H32BrN3O3 MolecularWeight: 526.46528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(N(C=C1)C2CCC(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)N)C.[Br-]

Isomeric SMILES

CCOC(=O)C[N+]1=C(N(C=C1)C2CCC(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)N)C.[Br-]

InChI

InChI=1S/C27H31N3O3.BrH/c1-3-33-25(31)19-29-16-17-30(20(29)2)24-15-14-23(18-24)27(26(28)32,21-10-6-4-7-11-21)22-12-8-5-9-13-22;/h4-13,16-17,23-24H,3,14-15,18-19H2,1-2H3,(H-,28,32);1H