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

Systemtic Name: (2R,4S)-2-methyl-2-oxidanyl-3-pyridin-1-ium-1-yl-4-pyridin-3-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: (2R,4S)-2-hydroxy-2-methyl-3-pyridin-1-ium-1-yl-4-(3-pyridyl)-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: (2R,4S)-2-hydroxy-6-mercapto-2-methyl-3-(1-pyridin-1-iumyl)-4-(3-pyridinyl)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: (2R,4S)-2-hydroxy-2-methyl-3-pyridin-1-ium-1-yl-4-pyridin-3-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: (2R,4S)-2-hydroxy-6-mercapto-2-methyl-3-pyridin-1-ium-1-yl-4-(3-pyridyl)-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C17H17N4OS+ MolecularWeight: 325.40808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4OS/c1-17(22)15(21-8-3-2-4-9-21)14(12-6-5-7-19-11-12)13(10-18)16(23)20-17/h2-9,11,14-15,20,22H,1H3/p+1/t14-,15?,17+/m0/s1