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

Systemtic Name: (3R,4R,5R,6R)-4-(4-methoxyphenyl)-6-methyl-6-oxidanyl-5-pyridin-1-ium-1-yl-2-sulfanylidene-piperidine-3-carbonitrile Openeye Name: (3R,4R,5R,6R)-6-hydroxy-4-(4-methoxyphenyl)-6-methyl-5-pyridin-1-ium-1-yl-2-thioxo-piperidine-3-carbonitrile CAS Name: (3R,4R,5R,6R)-6-hydroxy-4-(4-methoxyphenyl)-6-methyl-5-(1-pyridin-1-iumyl)-2-sulfanylidene-3-piperidinecarbonitrile IUPAC Name: (3R,4R,5R,6R)-6-hydroxy-4-(4-methoxyphenyl)-6-methyl-5-pyridin-1-ium-1-yl-2-sulfanylidenepiperidine-3-carbonitrile Traditional Name: (3R,4R,5R,6R)-6-hydroxy-4-(4-methoxyphenyl)-6-methyl-5-pyridin-1-ium-1-yl-2-thioxo-nipecotonitrile Formula: C19H20N3O2S+ MolecularWeight: 354.446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O2S/c1-19(23)17(22-10-4-3-5-11-22)16(15(12-20)18(25)21-19)13-6-8-14(24-2)9-7-13/h3-11,15-17,23H,1-2H3/p+1/t15-,16-,17+,19+/m0/s1