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

Systemtic Name: (2R,3R,4S)-2-methyl-2-oxidanyl-3-pyridin-1-ium-1-yl-6-sulfanyl-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: (2R,3R,4S)-2-hydroxy-2-methyl-3-pyridin-1-ium-1-yl-6-sulfanyl-4-(2-thienyl)-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: (2R,3R,4S)-2-hydroxy-6-mercapto-2-methyl-3-(1-pyridin-1-iumyl)-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: (2R,3R,4S)-2-hydroxy-2-methyl-3-pyridin-1-ium-1-yl-6-sulfanyl-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: (2R,3R,4S)-2-hydroxy-6-mercapto-2-methyl-3-pyridin-1-ium-1-yl-4-(2-thienyl)-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C16H16N3OS2+ MolecularWeight: 330.44774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(=C(N1)S)C#N)C2=CC=CS2)[N+]3=CC=CC=C3)O

Isomeric SMILES

C[C@]1([C@@H]([C@H](C(=C(N1)S)C#N)C2=CC=CS2)[N+]3=CC=CC=C3)O

InChI

InChI=1S/C16H15N3OS2/c1-16(20)14(19-7-3-2-4-8-19)13(12-6-5-9-22-12)11(10-17)15(21)18-16/h2-9,13-14,18,20H,1H3/p+1/t13-,14-,16-/m1/s1