1-[(3-cyano-4,6-dimethyl-2-sulfanylidene-pyridin-1-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3-cyano-4,6-dimethyl-2-sulfanylidene-pyridin-1-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-cyano-4,6-dimethyl-2-thioxo-1-pyridyl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-cyano-4,6-dimethyl-2-sulfanylidene-1-pyridinyl)methyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-cyano-4,6-dimethyl-2-sulfanylidenepyridin-1-yl)methyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(3-cyano-4,6-dimethyl-2-thioxo-1-pyridyl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C21H25N4OS+ MolecularWeight: 381.5144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=S)N1C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=S)N1C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3)C#N)C

InChI

InChI=1S/C21H24N4OS/c1-15-12-16(2)25(21(27)19(15)13-22)14-24-10-8-17(9-11-24)20(26)23-18-6-4-3-5-7-18/h3-7,12,17H,8-11,14H2,1-2H3,(H,23,26)/p+1