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

Systemtic Name: (2R,3S,4S)-2-methyl-3-(2-methylpyridin-1-ium-1-yl)-2-oxidanyl-4-pyridin-3-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: (2R,3S,4S)-2-hydroxy-2-methyl-3-(2-methylpyridin-1-ium-1-yl)-4-(3-pyridyl)-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: (2R,3S,4S)-2-hydroxy-6-mercapto-2-methyl-3-(2-methyl-1-pyridin-1-iumyl)-4-(3-pyridinyl)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: (2R,3S,4S)-2-hydroxy-2-methyl-3-(2-methylpyridin-1-ium-1-yl)-4-pyridin-3-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: (2R,3S,4S)-2-hydroxy-6-mercapto-2-methyl-3-(2-methylpyridin-1-ium-1-yl)-4-(3-pyridyl)-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C18H19N4OS+ MolecularWeight: 339.43466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1C2C(C(=C(NC2(C)O)S)C#N)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC=[N+]1[C@H]2[C@H](C(=C(N[C@]2(C)O)S)C#N)C3=CN=CC=C3

InChI

InChI=1S/C18H18N4OS/c1-12-6-3-4-9-22(12)16-15(13-7-5-8-20-11-13)14(10-19)17(24)21-18(16,2)23/h3-9,11,15-16,21,23H,1-2H3/p+1/t15-,16-,18+/m0/s1