2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]pyridine-3-carboxylic acid

Systemtic Name: 2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]pyridine-3-carboxylic acid Openeye Name: 2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]pyridine-3-carboxylic acid CAS Name: 2-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propylamino]-3-pyridinecarboxylic acid IUPAC Name: 2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]pyridine-3-carboxylic acid Traditional Name: 2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]nicotinic acid Formula: C15H24N3O2+ MolecularWeight: 278.36996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O2/c1-12-6-2-3-10-18(12)11-5-9-17-14-13(15(19)20)7-4-8-16-14/h4,7-8,12H,2-3,5-6,9-11H2,1H3,(H,16,17)(H,19,20)/p+1/t12-/m0/s1