2-[(1R,3R)-3-[(2S)-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoyl]oxy-1-methyl-pyrrolidin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[(1R,3R)-3-[(2S)-2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoyl]oxy-1-methyl-pyrrolidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[(1R,3R)-3-[(2S)-2-cyclopentyl-2-hydroxy-2-phenyl-acetyl]oxy-1-methyl-pyrrolidin-1-ium-1-yl]acetic acid CAS Name: 2-[(1R,3R)-3-[(2S)-2-cyclopentyl-2-hydroxy-1-oxo-2-phenylethoxy]-1-methyl-1-pyrrolidin-1-iumyl]acetic acid IUPAC Name: 2-[(1R,3R)-3-[(2S)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]oxy-1-methylpyrrolidin-1-ium-1-yl]acetic acid Traditional Name: 2-[(1R,3R)-3-[(2S)-2-cyclopentyl-2-hydroxy-2-phenyl-acetyl]oxy-1-methyl-pyrrolidin-1-ium-1-yl]acetic acid Formula: C20H28NO5+ MolecularWeight: 362.44002

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO5/c1-21(14-18(22)23)12-11-17(13-21)26-19(24)20(25,16-9-5-6-10-16)15-7-3-2-4-8-15/h2-4,7-8,16-17,25H,5-6,9-14H2,1H3/p+1/t17-,20-,21-/m1/s1