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

Systemtic Name: 4,6-dimethyl-1-(morpholin-4-ium-4-ylmethyl)-2-sulfanylidene-pyridine-3-carboxamide Openeye Name: 4,6-dimethyl-1-(morpholin-4-ium-4-ylmethyl)-2-thioxo-pyridine-3-carboxamide CAS Name: 4,6-dimethyl-1-(4-morpholin-4-iumylmethyl)-2-sulfanylidene-3-pyridinecarboxamide IUPAC Name: 4,6-dimethyl-1-(morpholin-4-ium-4-ylmethyl)-2-sulfanylidenepyridine-3-carboxamide Traditional Name: 4,6-dimethyl-1-(morpholin-4-ium-4-ylmethyl)-2-thioxo-nicotinamide Formula: C13H20N3O2S+ MolecularWeight: 282.3818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=S)N1C[NH+]2CCOCC2)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C(=S)N1C[NH+]2CCOCC2)C(=O)N)C

InChI

InChI=1S/C13H19N3O2S/c1-9-7-10(2)16(13(19)11(9)12(14)17)8-15-3-5-18-6-4-15/h7H,3-6,8H2,1-2H3,(H2,14,17)/p+1