2-[5-cyano-2-cyclopropyl-3-(2-methylpyridin-1-ium-1-yl)-4-(4-nitrophenyl)-2-oxidanyl-3,4-dihydro-1H-pyridin-6-yl]propanedinitrile chloride

Systemtic Name: 2-[5-cyano-2-cyclopropyl-3-(2-methylpyridin-1-ium-1-yl)-4-(4-nitrophenyl)-2-oxidanyl-3,4-dihydro-1H-pyridin-6-yl]propanedinitrile chloride Openeye Name: 2-[5-cyano-2-cyclopropyl-2-hydroxy-3-(2-methylpyridin-1-ium-1-yl)-4-(4-nitrophenyl)-3,4-dihydro-1H-pyridin-6-yl]propanedinitrile chloride CAS Name: 2-[5-cyano-2-cyclopropyl-2-hydroxy-3-(2-methyl-1-pyridin-1-iumyl)-4-(4-nitrophenyl)-3,4-dihydro-1H-pyridin-6-yl]propanedinitrile chloride IUPAC Name: 2-[5-cyano-2-cyclopropyl-2-hydroxy-3-(2-methylpyridin-1-ium-1-yl)-4-(4-nitrophenyl)-3,4-dihydro-1H-pyridin-6-yl]propanedinitrile chloride Traditional Name: 2-[5-cyano-2-cyclopropyl-2-hydroxy-3-(2-methylpyridin-1-ium-1-yl)-4-(4-nitrophenyl)-3,4-dihydro-1H-pyridin-6-yl]malononitrile chloride Formula: C24H21ClN6O3 MolecularWeight: 476.91494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1C2C(C(=C(NC2(C3CC3)O)C(C#N)C#N)C#N)C4=CC=C(C=C4)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CC1=CC=CC=[N+]1C2C(C(=C(NC2(C3CC3)O)C(C#N)C#N)C#N)C4=CC=C(C=C4)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C24H21N6O3.ClH/c1-15-4-2-3-11-29(15)23-21(16-5-9-19(10-6-16)30(32)33)20(14-27)22(17(12-25)13-26)28-24(23,31)18-7-8-18;/h2-6,9-11,17-18,21,23,28,31H,7-8H2,1H3;1H/q+1;/p-1