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

Systemtic Name: [(3S)-1-(2-methoxy-2-oxidanylidene-ethyl)-1-methyl-pyrrolidin-1-ium-3-yl] (2S)-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(3S)-1-(2-methoxy-2-oxo-ethyl)-1-methyl-pyrrolidin-1-ium-3-yl] (2S)-2-cyclopentyl-2-hydroxy-2-phenyl-acetate CAS Name: (2S)-2-cyclopentyl-2-hydroxy-2-phenylacetic acid [(3S)-1-(2-methoxy-2-oxoethyl)-1-methyl-3-pyrrolidin-1-iumyl] ester IUPAC Name: [(3S)-1-(2-methoxy-2-oxoethyl)-1-methylpyrrolidin-1-ium-3-yl] (2S)-2-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: (2S)-2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid [(3S)-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(C2CCCC2)(C3=CC=CC=C3)O)CC(=O)OC

Isomeric SMILES

C[N+]1(CC[C@@H](C1)OC(=O)[C@](C2CCCC2)(C3=CC=CC=C3)O)CC(=O)OC

InChI

InChI=1S/C21H30NO5/c1-22(15-19(23)26-2)13-12-18(14-22)27-20(24)21(25,17-10-6-7-11-17)16-8-4-3-5-9-16/h3-5,8-9,17-18,25H,6-7,10-15H2,1-2H3/q+1/t18-,21+,22?/m0/s1