4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]benzenecarbothioamide

Systemtic Name: 4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]benzenecarbothioamide Openeye Name: 4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]benzenecarbothioamide CAS Name: 4-[methyl-(1-methyl-4-piperidin-1-iumyl)sulfamoyl]benzenecarbothioamide IUPAC Name: 4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]benzenecarbothioamide Traditional Name: 4-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]thiobenzamide Formula: C14H22N3O2S2+ MolecularWeight: 328.47338

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)S(=O)(=O)C2=CC=C(C=C2)C(=S)N

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)S(=O)(=O)C2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C14H21N3O2S2/c1-16-9-7-12(8-10-16)17(2)21(18,19)13-5-3-11(4-6-13)14(15)20/h3-6,12H,7-10H2,1-2H3,(H2,15,20)/p+1