5-chloranyl-6-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]pyridine-3-carboxylate

Systemtic Name: 5-chloranyl-6-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]pyridine-3-carboxylate Openeye Name: 5-chloro-6-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]pyridine-3-carboxylate CAS Name: 5-chloro-6-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]-3-pyridinecarboxylate IUPAC Name: 5-chloro-6-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]pyridine-3-carboxylate Traditional Name: 5-chloro-6-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]nicotinate Formula: C13H18ClN3O2 MolecularWeight: 283.75392

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC2=C(C=C(C=N2)C(=O)[O-])Cl

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC2=C(C=C(C=N2)C(=O)[O-])Cl

InChI

InChI=1S/C13H18ClN3O2/c1-2-17-5-3-4-10(17)8-16-12-11(14)6-9(7-15-12)13(18)19/h6-7,10H,2-5,8H2,1H3,(H,15,16)(H,18,19)/t10-/m0/s1