ethyl 4-[3-[3-(2-azanyl-2-oxidanylidene-1,1-diphenyl-ethyl)cyclopentyl]-2-methyl-imidazol-1-ium-1-yl]butanoate bromide

Systemtic Name: ethyl 4-[3-[3-(2-azanyl-2-oxidanylidene-1,1-diphenyl-ethyl)cyclopentyl]-2-methyl-imidazol-1-ium-1-yl]butanoate bromide Openeye Name: ethyl 4-[3-[3-(2-amino-2-oxo-1,1-diphenyl-ethyl)cyclopentyl]-2-methyl-imidazol-1-ium-1-yl]butanoate bromide CAS Name: 4-[3-[3-(2-amino-2-oxo-1,1-diphenylethyl)cyclopentyl]-2-methyl-1-imidazol-1-iumyl]butanoic acid ethyl ester bromide IUPAC Name: ethyl 4-[3-[3-(2-amino-2-oxo-1,1-diphenylethyl)cyclopentyl]-2-methylimidazol-1-ium-1-yl]butanoate bromide Traditional Name: 4-[3-[3-(2-amino-2-keto-1,1-diphenyl-ethyl)cyclopentyl]-2-methyl-imidazol-1-ium-1-yl]butyric acid ethyl ester bromide Formula: C29H36BrN3O3 MolecularWeight: 554.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC[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)CCC[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/C29H35N3O3.BrH/c1-3-35-27(33)15-10-18-31-19-20-32(22(31)2)26-17-16-25(21-26)29(28(30)34,23-11-6-4-7-12-23)24-13-8-5-9-14-24;/h4-9,11-14,19-20,25-26H,3,10,15-18,21H2,1-2H3,(H-,30,34);1H