3-[(3-chlorophenyl)methylcarbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[(3-chlorophenyl)methylcarbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[(3-chlorophenyl)methylcarbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[(3-chlorophenyl)methylamino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(3-chlorophenyl)methylcarbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[(3-chlorobenzyl)thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C13H21ClN3S+ MolecularWeight: 286.84394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NCC1=CC(=CC=C1)Cl

Isomeric SMILES

C[NH+](C)CCCNC(=S)NCC1=CC(=CC=C1)Cl

InChI

InChI=1S/C13H20ClN3S/c1-17(2)8-4-7-15-13(18)16-10-11-5-3-6-12(14)9-11/h3,5-6,9H,4,7-8,10H2,1-2H3,(H2,15,16,18)/p+1