(2R,3R,4S)-4-(4-methoxyphenyl)-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-(4-methoxyphenyl)-2-methyl-2-oxidanyl-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: (2R,3R,4S)-2-hydroxy-4-(4-methoxyphenyl)-2-methyl-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: (2R,3R,4S)-2-hydroxy-6-mercapto-4-(4-methoxyphenyl)-2-methyl-3-(1-pyridin-1-iumyl)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: (2R,3R,4S)-2-hydroxy-4-(4-methoxyphenyl)-2-methyl-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: (2R,3R,4S)-2-hydroxy-6-mercapto-4-(4-methoxyphenyl)-2-methyl-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C19H20N3O2S+ MolecularWeight: 354.446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O2S/c1-19(23)17(22-10-4-3-5-11-22)16(15(12-20)18(25)21-19)13-6-8-14(24-2)9-7-13/h3-11,16-17,21,23H,1-2H3/p+1/t16-,17+,19+/m0/s1