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

Systemtic Name: ethyl 5-cyano-6-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-pyridin-1-ium-3-carboxylate Openeye Name: ethyl 5-cyano-6-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-pyridin-1-ium-3-carboxylate CAS Name: 5-cyano-6-(4-methyl-1-piperazin-4-iumyl)-2-phenyl-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-(4-methylpiperazin-4-ium-1-yl)-2-phenylpyridin-1-ium-3-carboxylate Traditional Name: 5-cyano-6-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C20H24N4O2+2 MolecularWeight: 352.43016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)N2CC[NH+](CC2)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)N2CC[NH+](CC2)C)C3=CC=CC=C3

InChI

InChI=1S/C20H22N4O2/c1-3-26-20(25)17-13-16(14-21)19(24-11-9-23(2)10-12-24)22-18(17)15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3/p+2