2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyridine-3-carboxylic acid

Systemtic Name: 2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyridine-3-carboxylic acid Openeye Name: 2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyridine-3-carboxylic acid CAS Name: 2-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-3-pyridinecarboxylic acid IUPAC Name: 2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyridine-3-carboxylic acid Traditional Name: 2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]nicotinic acid Formula: C13H20N3O2+ MolecularWeight: 250.3168

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C2=C(C=CC=N2)C(=O)O

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C13H19N3O2/c1-15-8-5-10(6-9-15)16(2)12-11(13(17)18)4-3-7-14-12/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,17,18)/p+1