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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClN3O2/c1-2-17-7-3-4-9(17)8-15-11-6-5-10(14)12(16-11)13(18)19/h5-6,9H,2-4,7-8H2,1H3,(H,15,16)(H,18,19)/t9-/m0/s1