(3S,4R)-4-(4-chlorophenyl)-3-(3-methylpyridin-1-ium-1-yl)-6-oxidanyl-2-oxidanylidene-1-phenethyl-3,4-dihydropyridine-5-carbonitrile

Systemtic Name: (3S,4R)-4-(4-chlorophenyl)-3-(3-methylpyridin-1-ium-1-yl)-6-oxidanyl-2-oxidanylidene-1-phenethyl-3,4-dihydropyridine-5-carbonitrile Openeye Name: (3S,4R)-4-(4-chlorophenyl)-6-hydroxy-3-(3-methylpyridin-1-ium-1-yl)-2-oxo-1-phenethyl-3,4-dihydropyridine-5-carbonitrile CAS Name: (3S,4R)-4-(4-chlorophenyl)-6-hydroxy-3-(3-methyl-1-pyridin-1-iumyl)-2-oxo-1-phenethyl-3,4-dihydropyridine-5-carbonitrile IUPAC Name: (3S,4R)-4-(4-chlorophenyl)-6-hydroxy-3-(3-methylpyridin-1-ium-1-yl)-2-oxo-1-phenethyl-3,4-dihydropyridine-5-carbonitrile Traditional Name: (3S,4R)-4-(4-chlorophenyl)-6-hydroxy-2-keto-3-(3-methylpyridin-1-ium-1-yl)-1-phenethyl-3,4-dihydropyridine-5-carbonitrile Formula: C26H23ClN3O2+ MolecularWeight: 444.93272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C2C(C(=C(N(C2=O)CCC3=CC=CC=C3)O)C#N)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C[N+](=CC=C1)[C@H]2[C@@H](C(=C(N(C2=O)CCC3=CC=CC=C3)O)C#N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H22ClN3O2/c1-18-6-5-14-29(17-18)24-23(20-9-11-21(27)12-10-20)22(16-28)25(31)30(26(24)32)15-13-19-7-3-2-4-8-19/h2-12,14,17,23-24H,13,15H2,1H3/p+1/t23-,24+/m1/s1