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

Systemtic Name: 5-chloranyl-6-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]pyridine-3-carboxylate Openeye Name: 5-chloro-6-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]pyridine-3-carboxylate CAS Name: 5-chloro-6-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propylamino]-3-pyridinecarboxylate IUPAC Name: 5-chloro-6-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]pyridine-3-carboxylate Traditional Name: 5-chloro-6-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]nicotinate Formula: C15H22ClN3O2 MolecularWeight: 311.80708

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC2=C(C=C(C=N2)C(=O)[O-])Cl

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC2=C(C=C(C=N2)C(=O)[O-])Cl

InChI

InChI=1S/C15H22ClN3O2/c1-11-5-2-3-7-19(11)8-4-6-17-14-13(16)9-12(10-18-14)15(20)21/h9-11H,2-8H2,1H3,(H,17,18)(H,20,21)/t11-/m0/s1