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

Systemtic Name: 2-[(2R,3R,4S)-5-cyano-3-(3-methylpyridin-1-ium-1-yl)-2-oxidanyl-2,4-dipyridin-3-yl-3,4-dihydro-1H-pyridin-6-yl]propanedinitrile Openeye Name: 2-[(2R,3R,4S)-5-cyano-2-hydroxy-3-(3-methylpyridin-1-ium-1-yl)-2,4-bis(3-pyridyl)-3,4-dihydro-1H-pyridin-6-yl]propanedinitrile CAS Name: 2-[(2R,3R,4S)-5-cyano-2-hydroxy-3-(3-methyl-1-pyridin-1-iumyl)-2,4-bis(3-pyridinyl)-3,4-dihydro-1H-pyridin-6-yl]propanedinitrile IUPAC Name: 2-[(2R,3R,4S)-5-cyano-2-hydroxy-3-(3-methylpyridin-1-ium-1-yl)-2,4-dipyridin-3-yl-3,4-dihydro-1H-pyridin-6-yl]propanedinitrile Traditional Name: 2-[(2R,3R,4S)-5-cyano-2-hydroxy-3-(3-methylpyridin-1-ium-1-yl)-2,4-bis(3-pyridyl)-3,4-dihydro-1H-pyridin-6-yl]malononitrile Formula: C25H20N7O+ MolecularWeight: 434.4726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C2C(C(=C(NC2(C3=CN=CC=C3)O)C(C#N)C#N)C#N)C4=CN=CC=C4

Isomeric SMILES

CC1=C[N+](=CC=C1)[C@@H]2[C@H](C(=C(N[C@]2(C3=CN=CC=C3)O)C(C#N)C#N)C#N)C4=CN=CC=C4

InChI

InChI=1S/C25H20N7O/c1-17-5-4-10-32(16-17)24-22(18-6-2-8-29-14-18)21(13-28)23(19(11-26)12-27)31-25(24,33)20-7-3-9-30-15-20/h2-10,14-16,19,22,24,31,33H,1H3/q+1/t22-,24+,25+/m0/s1