methyl 4-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)benzoate Openeye Name: methyl 4-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)benzoate CAS Name: 4-[[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)benzoate Traditional Name: 4-(3-morpholin-4-ium-4-ylpropylthiocarbamoylamino)benzoic acid methyl ester Formula: C16H24N3O3S+ MolecularWeight: 338.44506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NCCC[NH+]2CCOCC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NCCC[NH+]2CCOCC2

InChI

InChI=1S/C16H23N3O3S/c1-21-15(20)13-3-5-14(6-4-13)18-16(23)17-7-2-8-19-9-11-22-12-10-19/h3-6H,2,7-12H2,1H3,(H2,17,18,23)/p+1