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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC2=NC(=C(C=C2)Cl)C(=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC2=NC(=C(C=C2)Cl)C(=O)[O-]

InChI

InChI=1S/C15H22ClN3O2/c1-11-5-2-3-9-19(11)10-4-8-17-13-7-6-12(16)14(18-13)15(20)21/h6-7,11H,2-5,8-10H2,1H3,(H,17,18)(H,20,21)/t11-/m0/s1