5-(4-methylpiperazin-4-ium-1-yl)pyridine-3-carboxylate

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)pyridine-3-carboxylate Openeye Name: 5-(4-methylpiperazin-4-ium-1-yl)pyridine-3-carboxylate CAS Name: 5-(4-methyl-1-piperazin-4-iumyl)-3-pyridinecarboxylate IUPAC Name: 5-(4-methylpiperazin-4-ium-1-yl)pyridine-3-carboxylate Traditional Name: 5-(4-methylpiperazin-4-ium-1-yl)nicotinate Formula: C11H15N3O2 MolecularWeight: 221.2557

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3O2/c1-13-2-4-14(5-3-13)10-6-9(11(15)16)7-12-8-10/h6-8H,2-5H2,1H3,(H,15,16)