2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]pyridine-4-carboxylate

Systemtic Name: 2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]pyridine-4-carboxylate Openeye Name: 2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]pyridine-4-carboxylate CAS Name: 2-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]-4-pyridinecarboxylate IUPAC Name: 2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]pyridine-4-carboxylate Traditional Name: 2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]isonicotinate Formula: C13H19N3O2 MolecularWeight: 249.30886

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC2=NC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC2=NC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C13H19N3O2/c1-2-16-7-3-4-11(16)9-15-12-8-10(13(17)18)5-6-14-12/h5-6,8,11H,2-4,7,9H2,1H3,(H,14,15)(H,17,18)/t11-/m0/s1