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

Systemtic Name: ethyl 5-cyano-2-phenyl-6-(4-phenylpiperazin-1-yl)pyridin-1-ium-3-carboxylate Openeye Name: ethyl 5-cyano-2-phenyl-6-(4-phenylpiperazin-1-yl)pyridin-1-ium-3-carboxylate CAS Name: 5-cyano-2-phenyl-6-(4-phenyl-1-piperazinyl)-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-phenyl-6-(4-phenylpiperazin-1-yl)pyridin-1-ium-3-carboxylate Traditional Name: 5-cyano-2-phenyl-6-(4-phenylpiperazino)pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C25H25N4O2+ MolecularWeight: 413.4916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)N2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)N2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H24N4O2/c1-2-31-25(30)22-17-20(18-26)24(27-23(22)19-9-5-3-6-10-19)29-15-13-28(14-16-29)21-11-7-4-8-12-21/h3-12,17H,2,13-16H2,1H3/p+1