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

Systemtic Name: 2-[(2R,3S,4R)-5-cyano-2-cyclopropyl-3-(2-methylpyridin-1-ium-1-yl)-2-oxidanyl-4-phenyl-3,4-dihydro-1H-pyridin-6-yl]propanedinitrile Openeye Name: 2-[(2R,3S,4R)-5-cyano-2-cyclopropyl-2-hydroxy-3-(2-methylpyridin-1-ium-1-yl)-4-phenyl-3,4-dihydro-1H-pyridin-6-yl]propanedinitrile CAS Name: 2-[(2R,3S,4R)-5-cyano-2-cyclopropyl-2-hydroxy-3-(2-methyl-1-pyridin-1-iumyl)-4-phenyl-3,4-dihydro-1H-pyridin-6-yl]propanedinitrile IUPAC Name: 2-[(2R,3S,4R)-5-cyano-2-cyclopropyl-2-hydroxy-3-(2-methylpyridin-1-ium-1-yl)-4-phenyl-3,4-dihydro-1H-pyridin-6-yl]propanedinitrile Traditional Name: 2-[(2R,3S,4R)-5-cyano-2-cyclopropyl-2-hydroxy-3-(2-methylpyridin-1-ium-1-yl)-4-phenyl-3,4-dihydro-1H-pyridin-6-yl]malononitrile Formula: C24H22N5O+ MolecularWeight: 396.46438

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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=CC=C4

Isomeric SMILES

CC1=CC=CC=[N+]1[C@H]2[C@@H](C(=C(N[C@]2(C3CC3)O)C(C#N)C#N)C#N)C4=CC=CC=C4

InChI

InChI=1S/C24H22N5O/c1-16-7-5-6-12-29(16)23-21(17-8-3-2-4-9-17)20(15-27)22(18(13-25)14-26)28-24(23,30)19-10-11-19/h2-9,12,18-19,21,23,28,30H,10-11H2,1H3/q+1/t21-,23+,24-/m1/s1