ethyl 5-cyano-6-methyl-2-piperazin-4-ium-1-yl-pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-methyl-2-piperazin-4-ium-1-yl-pyridin-1-ium-3-carboxylate Openeye Name: ethyl 5-cyano-6-methyl-2-piperazin-4-ium-1-yl-pyridin-1-ium-3-carboxylate CAS Name: 5-cyano-6-methyl-2-(1-piperazin-4-iumyl)-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-methyl-2-piperazin-4-ium-1-ylpyridin-1-ium-3-carboxylate Traditional Name: 5-cyano-6-methyl-2-piperazin-4-ium-1-yl-pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C14H20N4O2+2 MolecularWeight: 276.3342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)C)N2CC[NH2+]CC2

Isomeric SMILES

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)C)N2CC[NH2+]CC2

InChI

InChI=1S/C14H18N4O2/c1-3-20-14(19)12-8-11(9-15)10(2)17-13(12)18-6-4-16-5-7-18/h8,16H,3-7H2,1-2H3/p+2