2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]pyridine-4-carboxylic acid

Systemtic Name: 2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]pyridine-4-carboxylic acid Openeye Name: 2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]pyridine-4-carboxylic acid CAS Name: 2-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propylamino]-4-pyridinecarboxylic acid IUPAC Name: 2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]pyridine-4-carboxylic acid Traditional Name: 2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]isonicotinic acid Formula: C15H24N3O2+ MolecularWeight: 278.36996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O2/c1-12-5-2-3-9-18(12)10-4-7-16-14-11-13(15(19)20)6-8-17-14/h6,8,11-12H,2-5,7,9-10H2,1H3,(H,16,17)(H,19,20)/p+1/t12-/m0/s1