(2R,3R,4S)-2-methyl-3-(3-methylpyridin-1-ium-1-yl)-4-(2-nitrophenyl)-2-oxidanyl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile

Systemtic Name: (2R,3R,4S)-2-methyl-3-(3-methylpyridin-1-ium-1-yl)-4-(2-nitrophenyl)-2-oxidanyl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: (2R,3R,4S)-2-hydroxy-2-methyl-3-(3-methylpyridin-1-ium-1-yl)-4-(2-nitrophenyl)-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: (2R,3R,4S)-2-hydroxy-6-mercapto-2-methyl-3-(3-methyl-1-pyridin-1-iumyl)-4-(2-nitrophenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: (2R,3R,4S)-2-hydroxy-2-methyl-3-(3-methylpyridin-1-ium-1-yl)-4-(2-nitrophenyl)-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: (2R,3R,4S)-2-hydroxy-6-mercapto-2-methyl-3-(3-methylpyridin-1-ium-1-yl)-4-(2-nitrophenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C19H19N4O3S+ MolecularWeight: 383.44416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O3S/c1-12-6-5-9-22(11-12)17-16(13-7-3-4-8-15(13)23(25)26)14(10-20)18(27)21-19(17,2)24/h3-9,11,16-17,21,24H,1-2H3/p+1/t16-,17+,19+/m0/s1