N-methyl-4-[[methyl(2-morpholin-4-ium-4-ylethylcarbamothioyl)amino]methyl]benzamide

Systemtic Name: N-methyl-4-[[methyl(2-morpholin-4-ium-4-ylethylcarbamothioyl)amino]methyl]benzamide Openeye Name: N-methyl-4-[[methyl(2-morpholin-4-ium-4-ylethylcarbamothioyl)amino]methyl]benzamide CAS Name: N-methyl-4-[[methyl-[[2-(4-morpholin-4-iumyl)ethylamino]-sulfanylidenemethyl]amino]methyl]benzamide IUPAC Name: N-methyl-4-[[methyl(2-morpholin-4-ium-4-ylethylcarbamothioyl)amino]methyl]benzamide Traditional Name: N-methyl-4-[[methyl(2-morpholin-4-ium-4-ylethylthiocarbamoyl)amino]methyl]benzamide Formula: C17H27N4O2S+ MolecularWeight: 351.48688

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C)C(=S)NCC[NH+]2CCOCC2

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C)C(=S)NCC[NH+]2CCOCC2

InChI

InChI=1S/C17H26N4O2S/c1-18-16(22)15-5-3-14(4-6-15)13-20(2)17(24)19-7-8-21-9-11-23-12-10-21/h3-6H,7-13H2,1-2H3,(H,18,22)(H,19,24)/p+1