methyl 5-[3-[3-(2-azanyl-2-oxidanylidene-1,1-diphenyl-ethyl)cyclopentyl]-2-methyl-imidazol-1-ium-1-yl]pentanoate bromide

Systemtic Name: methyl 5-[3-[3-(2-azanyl-2-oxidanylidene-1,1-diphenyl-ethyl)cyclopentyl]-2-methyl-imidazol-1-ium-1-yl]pentanoate bromide Openeye Name: methyl 5-[3-[3-(2-amino-2-oxo-1,1-diphenyl-ethyl)cyclopentyl]-2-methyl-imidazol-1-ium-1-yl]pentanoate bromide CAS Name: 5-[3-[3-(2-amino-2-oxo-1,1-diphenylethyl)cyclopentyl]-2-methyl-1-imidazol-1-iumyl]pentanoic acid methyl ester bromide IUPAC Name: methyl 5-[3-[3-(2-amino-2-oxo-1,1-diphenylethyl)cyclopentyl]-2-methylimidazol-1-ium-1-yl]pentanoate bromide Traditional Name: 5-[3-[3-(2-amino-2-keto-1,1-diphenyl-ethyl)cyclopentyl]-2-methyl-imidazol-1-ium-1-yl]valeric acid methyl ester bromide Formula: C29H36BrN3O3 MolecularWeight: 554.51844

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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)CCCCC(=O)OC.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C29H35N3O3.BrH/c1-22-31(18-10-9-15-27(33)35-2)19-20-32(22)26-17-16-25(21-26)29(28(30)34,23-11-5-3-6-12-23)24-13-7-4-8-14-24;/h3-8,11-14,19-20,25-26H,9-10,15-18,21H2,1-2H3,(H-,30,34);1H