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

Systemtic Name: ethyl 5-[3-[3-(2-azanyl-2-oxidanylidene-1,1-diphenyl-ethyl)cyclopentyl]-2-methyl-imidazol-1-ium-1-yl]pentanoate bromide Openeye Name: ethyl 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 ethyl ester bromide IUPAC Name: ethyl 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 ethyl ester bromide Formula: C30H38BrN3O3 MolecularWeight: 568.54502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC[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)CCCC[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/C30H37N3O3.BrH/c1-3-36-28(34)16-10-11-19-32-20-21-33(23(32)2)27-18-17-26(22-27)30(29(31)35,24-12-6-4-7-13-24)25-14-8-5-9-15-25;/h4-9,12-15,20-21,26-27H,3,10-11,16-19,22H2,1-2H3,(H-,31,35);1H