methyl 2-piperazin-4-ium-1-ylpyridine-3-carboxylate

Systemtic Name: methyl 2-piperazin-4-ium-1-ylpyridine-3-carboxylate Openeye Name: methyl 2-piperazin-4-ium-1-ylpyridine-3-carboxylate CAS Name: 2-(1-piperazin-4-iumyl)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-piperazin-4-ium-1-ylpyridine-3-carboxylate Traditional Name: 2-piperazin-4-ium-1-ylnicotinic acid methyl ester Formula: C11H16N3O2+ MolecularWeight: 222.26364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=CC=C1)N2CC[NH2+]CC2

Isomeric SMILES

COC(=O)C1=C(N=CC=C1)N2CC[NH2+]CC2

InChI

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