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

Systemtic Name: 6-methyl-2-[methyl-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]amino]pyridine-3-carboxylic acid Openeye Name: 6-methyl-2-[methyl-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]amino]pyridine-3-carboxylic acid CAS Name: 6-methyl-2-[methyl-[2-[(2S)-2-methyl-1-piperidin-1-iumyl]ethyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 6-methyl-2-[methyl-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]amino]pyridine-3-carboxylic acid Traditional Name: 6-methyl-2-[methyl-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]amino]nicotinic acid Formula: C16H26N3O2+ MolecularWeight: 292.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCN(C)C2=C(C=CC(=N2)C)C(=O)O

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCN(C)C2=C(C=CC(=N2)C)C(=O)O

InChI

InChI=1S/C16H25N3O2/c1-12-7-8-14(16(20)21)15(17-12)18(3)10-11-19-9-5-4-6-13(19)2/h7-8,13H,4-6,9-11H2,1-3H3,(H,20,21)/p+1/t13-/m0/s1