methyl 6-(4-methylpiperazin-4-ium-1-yl)pyridine-3-carboxylate

Systemtic Name: methyl 6-(4-methylpiperazin-4-ium-1-yl)pyridine-3-carboxylate Openeye Name: methyl 6-(4-methylpiperazin-4-ium-1-yl)pyridine-3-carboxylate CAS Name: 6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-(4-methylpiperazin-4-ium-1-yl)pyridine-3-carboxylate Traditional Name: 6-(4-methylpiperazin-4-ium-1-yl)nicotinic acid methyl ester Formula: C12H18N3O2+ MolecularWeight: 236.29022

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)C(=O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)C(=O)OC

InChI

InChI=1S/C12H17N3O2/c1-14-5-7-15(8-6-14)11-4-3-10(9-13-11)12(16)17-2/h3-4,9H,5-8H2,1-2H3/p+1