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

Systemtic Name: (2R,3S,4S)-4-(4-chlorophenyl)-2-methyl-2-oxidanyl-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: (2R,3S,4S)-4-(4-chlorophenyl)-2-hydroxy-2-methyl-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: (2R,3S,4S)-4-(4-chlorophenyl)-2-hydroxy-6-mercapto-2-methyl-3-(1-pyridin-1-iumyl)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: (2R,3S,4S)-4-(4-chlorophenyl)-2-hydroxy-2-methyl-3-pyridin-1-ium-1-yl-6-sulfanyl-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: (2R,3S,4S)-4-(4-chlorophenyl)-2-hydroxy-6-mercapto-2-methyl-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C18H17ClN3OS+ MolecularWeight: 358.86508

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H16ClN3OS/c1-18(23)16(22-9-3-2-4-10-22)15(14(11-20)17(24)21-18)12-5-7-13(19)8-6-12/h2-10,15-16,21,23H,1H3/p+1/t15-,16-,18+/m0/s1