(3S,4R,5R,6R)-4-(2-fluorophenyl)-6-methyl-6-oxidanyl-5-pyridin-1-ium-1-yl-2-sulfanylidene-piperidine-3-carbonitrile

Systemtic Name: (3S,4R,5R,6R)-4-(2-fluorophenyl)-6-methyl-6-oxidanyl-5-pyridin-1-ium-1-yl-2-sulfanylidene-piperidine-3-carbonitrile Openeye Name: (3S,4R,5R,6R)-4-(2-fluorophenyl)-6-hydroxy-6-methyl-5-pyridin-1-ium-1-yl-2-thioxo-piperidine-3-carbonitrile CAS Name: (3S,4R,5R,6R)-4-(2-fluorophenyl)-6-hydroxy-6-methyl-5-(1-pyridin-1-iumyl)-2-sulfanylidene-3-piperidinecarbonitrile IUPAC Name: (3S,4R,5R,6R)-4-(2-fluorophenyl)-6-hydroxy-6-methyl-5-pyridin-1-ium-1-yl-2-sulfanylidenepiperidine-3-carbonitrile Traditional Name: (3S,4R,5R,6R)-4-(2-fluorophenyl)-6-hydroxy-6-methyl-5-pyridin-1-ium-1-yl-2-thioxo-nipecotonitrile Formula: C18H17FN3OS+ MolecularWeight: 342.410483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@]1([C@@H]([C@H]([C@H](C(=S)N1)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/h2-10,13,15-16,23H,1H3/p+1/t13-,15+,16-,18-/m1/s1