2-(4-methylpiperazin-4-ium-1-yl)pyridine-3-carboxylic acid

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)pyridine-3-carboxylic acid Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)pyridine-3-carboxylic acid CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-3-pyridinecarboxylic acid IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)pyridine-3-carboxylic acid Traditional Name: 2-(4-methylpiperazin-4-ium-1-yl)nicotinic acid Formula: C11H16N3O2+ MolecularWeight: 222.26364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3O2/c1-13-5-7-14(8-6-13)10-9(11(15)16)3-2-4-12-10/h2-4H,5-8H2,1H3,(H,15,16)/p+1