ethyl 6-[3-[3-(2-azanyl-2-oxidanylidene-1,1-diphenyl-ethyl)cyclopentyl]-2-methyl-imidazol-1-ium-1-yl]hexanoate

Systemtic Name: ethyl 6-[3-[3-(2-azanyl-2-oxidanylidene-1,1-diphenyl-ethyl)cyclopentyl]-2-methyl-imidazol-1-ium-1-yl]hexanoate Openeye Name: ethyl 6-[3-[3-(2-amino-2-oxo-1,1-diphenyl-ethyl)cyclopentyl]-2-methyl-imidazol-1-ium-1-yl]hexanoate CAS Name: 6-[3-[3-(2-amino-2-oxo-1,1-diphenylethyl)cyclopentyl]-2-methyl-1-imidazol-1-iumyl]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[3-[3-(2-amino-2-oxo-1,1-diphenylethyl)cyclopentyl]-2-methylimidazol-1-ium-1-yl]hexanoate Traditional Name: 6-[3-[3-(2-amino-2-keto-1,1-diphenyl-ethyl)cyclopentyl]-2-methyl-imidazol-1-ium-1-yl]hexanoic acid ethyl ester Formula: C31H40N3O3+ MolecularWeight: 502.6676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC[N+]1=C(N(C=C1)C2CCC(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)N)C

Isomeric SMILES

CCOC(=O)CCCCC[N+]1=C(N(C=C1)C2CCC(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)N)C

InChI

InChI=1S/C31H39N3O3/c1-3-37-29(35)17-11-6-12-20-33-21-22-34(24(33)2)28-19-18-27(23-28)31(30(32)36,25-13-7-4-8-14-25)26-15-9-5-10-16-26/h4-5,7-10,13-16,21-22,27-28H,3,6,11-12,17-20,23H2,1-2H3,(H-,32,36)/p+1