[1-(2-methoxy-2-oxidanylidene-ethyl)-1-methyl-pyrrolidin-1-ium-3-yl] 2-(1-oxidanylcyclopentyl)-2-phenyl-ethanoate

Systemtic Name: [1-(2-methoxy-2-oxidanylidene-ethyl)-1-methyl-pyrrolidin-1-ium-3-yl] 2-(1-oxidanylcyclopentyl)-2-phenyl-ethanoate Openeye Name: [1-(2-methoxy-2-oxo-ethyl)-1-methyl-pyrrolidin-1-ium-3-yl] 2-(1-hydroxycyclopentyl)-2-phenyl-acetate CAS Name: 2-(1-hydroxycyclopentyl)-2-phenylacetic acid [1-(2-methoxy-2-oxoethyl)-1-methyl-3-pyrrolidin-1-iumyl] ester IUPAC Name: [1-(2-methoxy-2-oxoethyl)-1-methylpyrrolidin-1-ium-3-yl] 2-(1-hydroxycyclopentyl)-2-phenylacetate Traditional Name: 2-(1-hydroxycyclopentyl)-2-phenyl-acetic acid [1-(2-keto-2-methoxy-ethyl)-1-methyl-pyrrolidin-1-ium-3-yl] ester Formula: C21H30NO5+ MolecularWeight: 376.4666

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)C3(CCCC3)O)CC(=O)OC

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)C3(CCCC3)O)CC(=O)OC

InChI

InChI=1S/C21H30NO5/c1-22(15-18(23)26-2)13-10-17(14-22)27-20(24)19(16-8-4-3-5-9-16)21(25)11-6-7-12-21/h3-5,8-9,17,19,25H,6-7,10-15H2,1-2H3/q+1