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

Systemtic Name: (3R,4R,5R,6R)-6-methyl-6-oxidanyl-5-pyridin-1-ium-1-yl-4-pyridin-3-yl-2-sulfanylidene-piperidine-3-carbonitrile Openeye Name: (3R,4R,5R,6R)-6-hydroxy-6-methyl-5-pyridin-1-ium-1-yl-4-(3-pyridyl)-2-thioxo-piperidine-3-carbonitrile CAS Name: (3R,4R,5R,6R)-6-hydroxy-6-methyl-5-(1-pyridin-1-iumyl)-4-(3-pyridinyl)-2-sulfanylidene-3-piperidinecarbonitrile IUPAC Name: (3R,4R,5R,6R)-6-hydroxy-6-methyl-5-pyridin-1-ium-1-yl-4-pyridin-3-yl-2-sulfanylidenepiperidine-3-carbonitrile Traditional Name: (3R,4R,5R,6R)-6-hydroxy-6-methyl-5-pyridin-1-ium-1-yl-4-(3-pyridyl)-2-thioxo-nipecotonitrile Formula: C17H17N4OS+ MolecularWeight: 325.40808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@]1([C@@H]([C@H]([C@@H](C(=S)N1)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/h2-9,11,13-15,22H,1H3/p+1/t13-,14-,15+,17+/m0/s1