methyl 5-cyano-2-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=[NH+]1)N2CC[NH+](CC2)C)C#N)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C(=[NH+]1)N2CC[NH+](CC2)C)C#N)C(=O)OC

InChI

InChI=1S/C14H18N4O2/c1-10-12(14(19)20-3)8-11(9-15)13(16-10)18-6-4-17(2)5-7-18/h8H,4-7H2,1-3H3/p+2