4,6-dimethyl-1-(piperidin-1-ium-1-ylmethyl)-2-sulfanylidene-pyridine-3-carboxamide

Systemtic Name: 4,6-dimethyl-1-(piperidin-1-ium-1-ylmethyl)-2-sulfanylidene-pyridine-3-carboxamide Openeye Name: 4,6-dimethyl-1-(piperidin-1-ium-1-ylmethyl)-2-thioxo-pyridine-3-carboxamide CAS Name: 4,6-dimethyl-1-(1-piperidin-1-iumylmethyl)-2-sulfanylidene-3-pyridinecarboxamide IUPAC Name: 4,6-dimethyl-1-(piperidin-1-ium-1-ylmethyl)-2-sulfanylidenepyridine-3-carboxamide Traditional Name: 4,6-dimethyl-1-(piperidin-1-ium-1-ylmethyl)-2-thioxo-nicotinamide Formula: C14H22N3OS+ MolecularWeight: 280.40898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=S)N1C[NH+]2CCCCC2)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C(=S)N1C[NH+]2CCCCC2)C(=O)N)C

InChI

InChI=1S/C14H21N3OS/c1-10-8-11(2)17(14(19)12(10)13(15)18)9-16-6-4-3-5-7-16/h8H,3-7,9H2,1-2H3,(H2,15,18)/p+1