1-[(5-cyano-2,3,4-trimethyl-6-sulfanylidene-pyridin-1-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(5-cyano-2,3,4-trimethyl-6-sulfanylidene-pyridin-1-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(5-cyano-2,3,4-trimethyl-6-thioxo-1-pyridyl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(5-cyano-2,3,4-trimethyl-6-sulfanylidene-1-pyridinyl)methyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(5-cyano-2,3,4-trimethyl-6-sulfanylidenepyridin-1-yl)methyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(5-cyano-2,3,4-trimethyl-6-thioxo-1-pyridyl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=S)C(=C1C)C#N)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=S)C(=C1C)C#N)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C22H26N4OS/c1-15-16(2)20(13-23)22(28)26(17(15)3)14-25-11-9-18(10-12-25)21(27)24-19-7-5-4-6-8-19/h4-8,18H,9-12,14H2,1-3H3,(H,24,27)/p+1