4-[[(2S,3S)-1-methyl-2-pyridin-3-yl-pyrrolidin-1-ium-3-yl]methoxy]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[(2S,3S)-1-methyl-2-pyridin-3-yl-pyrrolidin-1-ium-3-yl]methoxy]-4-oxidanylidene-butanoate Openeye Name: 4-[[(2S,3S)-1-methyl-2-(3-pyridyl)pyrrolidin-1-ium-3-yl]methoxy]-4-oxo-butanoate CAS Name: 4-[[(2S,3S)-1-methyl-2-(3-pyridinyl)-3-pyrrolidin-1-iumyl]methoxy]-4-oxobutanoate IUPAC Name: 4-[[(2S,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-1-ium-3-yl]methoxy]-4-oxobutanoate Traditional Name: 4-keto-4-[[(2S,3S)-1-methyl-2-(3-pyridyl)pyrrolidin-1-ium-3-yl]methoxy]butyrate Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(C1C2=CN=CC=C2)COC(=O)CCC(=O)[O-]

Isomeric SMILES

C[NH+]1CC[C@@H]([C@H]1C2=CN=CC=C2)COC(=O)CCC(=O)[O-]

InChI

InChI=1S/C15H20N2O4/c1-17-8-6-12(10-21-14(20)5-4-13(18)19)15(17)11-3-2-7-16-9-11/h2-3,7,9,12,15H,4-6,8,10H2,1H3,(H,18,19)/t12-,15-/m1/s1