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

Systemtic Name: methyl 4-[3-[3-(2-azanyl-2-oxidanylidene-1,1-diphenyl-ethyl)cyclopentyl]-2-methyl-imidazol-1-ium-1-yl]butanoate bromide Openeye Name: methyl 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 methyl ester bromide IUPAC Name: methyl 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 methyl 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)CCCC(=O)OC.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O3.BrH/c1-21-30(17-9-14-26(32)34-2)18-19-31(21)25-16-15-24(20-25)28(27(29)33,22-10-5-3-6-11-22)23-12-7-4-8-13-23;/h3-8,10-13,18-19,24-25H,9,14-17,20H2,1-2H3,(H-,29,33);1H