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

Systemtic Name: (2R,3R,4S)-4-(2-fluorophenyl)-2-methyl-2-oxidanyl-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: (2R,3R,4S)-4-(2-fluorophenyl)-2-hydroxy-2-methyl-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: (2R,3R,4S)-4-(2-fluorophenyl)-2-hydroxy-6-mercapto-2-methyl-3-(1-pyridin-1-iumyl)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: (2R,3R,4S)-4-(2-fluorophenyl)-2-hydroxy-2-methyl-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: (2R,3R,4S)-4-(2-fluorophenyl)-2-hydroxy-6-mercapto-2-methyl-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C18H17FN3OS+ MolecularWeight: 342.410483

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(=C(N1)S)C#N)C2=CC=CC=C2F)[N+]3=CC=CC=C3)O

Isomeric SMILES

C[C@]1([C@@H]([C@H](C(=C(N1)S)C#N)C2=CC=CC=C2F)[N+]3=CC=CC=C3)O

InChI

InChI=1S/C18H16FN3OS/c1-18(23)16(22-9-5-2-6-10-22)15(13(11-20)17(24)21-18)12-7-3-4-8-14(12)19/h2-10,15-16,21,23H,1H3/p+1/t15-,16+,18+/m0/s1