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

Systemtic Name: (3S,4S,5R,6R)-6-methyl-6-oxidanyl-5-pyridin-1-ium-1-yl-2-sulfanylidene-4-thiophen-2-yl-piperidine-3-carbonitrile Openeye Name: (3S,4S,5R,6R)-6-hydroxy-6-methyl-5-pyridin-1-ium-1-yl-4-(2-thienyl)-2-thioxo-piperidine-3-carbonitrile CAS Name: (3S,4S,5R,6R)-6-hydroxy-6-methyl-5-(1-pyridin-1-iumyl)-2-sulfanylidene-4-thiophen-2-yl-3-piperidinecarbonitrile IUPAC Name: (3S,4S,5R,6R)-6-hydroxy-6-methyl-5-pyridin-1-ium-1-yl-2-sulfanylidene-4-thiophen-2-ylpiperidine-3-carbonitrile Traditional Name: (3S,4S,5R,6R)-6-hydroxy-6-methyl-5-pyridin-1-ium-1-yl-4-(2-thienyl)-2-thioxo-nipecotonitrile Formula: C16H16N3OS2+ MolecularWeight: 330.44774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@]1([C@@H]([C@H]([C@H](C(=S)N1)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/h2-9,11,13-14,20H,1H3/p+1/t11-,13-,14-,16-/m1/s1