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

Systemtic Name: ethyl 6-piperazin-4-ium-1-ylpyridine-3-carboxylate Openeye Name: ethyl 6-piperazin-4-ium-1-ylpyridine-3-carboxylate CAS Name: 6-(1-piperazin-4-iumyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-piperazin-4-ium-1-ylpyridine-3-carboxylate Traditional Name: 6-piperazin-4-ium-1-ylnicotinic acid ethyl ester Formula: C12H18N3O2+ MolecularWeight: 236.29022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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