methyl 11-[3-[3-(2-azanyl-2-oxidanylidene-1,1-diphenyl-ethyl)cyclopentyl]-2-methyl-imidazol-1-ium-1-yl]undecanoate bromide

Systemtic Name: methyl 11-[3-[3-(2-azanyl-2-oxidanylidene-1,1-diphenyl-ethyl)cyclopentyl]-2-methyl-imidazol-1-ium-1-yl]undecanoate bromide Openeye Name: methyl 11-[3-[3-(2-amino-2-oxo-1,1-diphenyl-ethyl)cyclopentyl]-2-methyl-imidazol-1-ium-1-yl]undecanoate bromide CAS Name: 11-[3-[3-(2-amino-2-oxo-1,1-diphenylethyl)cyclopentyl]-2-methyl-1-imidazol-1-iumyl]undecanoic acid methyl ester bromide IUPAC Name: methyl 11-[3-[3-(2-amino-2-oxo-1,1-diphenylethyl)cyclopentyl]-2-methylimidazol-1-ium-1-yl]undecanoate bromide Traditional Name: 11-[3-[3-(2-amino-2-keto-1,1-diphenyl-ethyl)cyclopentyl]-2-methyl-imidazol-1-ium-1-yl]undecanoic acid methyl ester bromide Formula: C35H48BrN3O3 MolecularWeight: 638.67792

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

Isomeric SMILES

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

InChI

InChI=1S/C35H47N3O3.BrH/c1-28-37(24-16-8-6-4-3-5-7-15-21-33(39)41-2)25-26-38(28)32-23-22-31(27-32)35(34(36)40,29-17-11-9-12-18-29)30-19-13-10-14-20-30;/h9-14,17-20,25-26,31-32H,3-8,15-16,21-24,27H2,1-2H3,(H-,36,40);1H