(2R,4S)-4-methoxy-1-(5-methylpyridin-1-ium-2-yl)pyrrolidine-2-carboxylate

Systemtic Name: (2R,4S)-4-methoxy-1-(5-methylpyridin-1-ium-2-yl)pyrrolidine-2-carboxylate Openeye Name: (2R,4S)-4-methoxy-1-(5-methylpyridin-1-ium-2-yl)pyrrolidine-2-carboxylate CAS Name: (2R,4S)-4-methoxy-1-(5-methyl-2-pyridin-1-iumyl)-2-pyrrolidinecarboxylate IUPAC Name: (2R,4S)-4-methoxy-1-(5-methylpyridin-1-ium-2-yl)pyrrolidine-2-carboxylate Traditional Name: (2R,4S)-4-methoxy-1-(5-methylpyridin-1-ium-2-yl)pyrrolidine-2-carboxylate Formula: C12H16N2O3 MolecularWeight: 236.26704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(C=C1)N2CC(CC2C(=O)[O-])OC

Isomeric SMILES

CC1=C[NH+]=C(C=C1)N2C[C@H](C[C@@H]2C(=O)[O-])OC

InChI

InChI=1S/C12H16N2O3/c1-8-3-4-11(13-6-8)14-7-9(17-2)5-10(14)12(15)16/h3-4,6,9-10H,5,7H2,1-2H3,(H,15,16)/t9-,10+/m0/s1