methyl 6-piperazin-4-ium-1-ylpyridine-3-carboxylate

Systemtic Name: methyl 6-piperazin-4-ium-1-ylpyridine-3-carboxylate Openeye Name: methyl 6-piperazin-4-ium-1-ylpyridine-3-carboxylate CAS Name: 6-(1-piperazin-4-iumyl)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-piperazin-4-ium-1-ylpyridine-3-carboxylate Traditional Name: 6-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=CN=C(C=C1)N2CC[NH2+]CC2

Isomeric SMILES

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

InChI

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