3-[(4-chlorophenyl)methylcarbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-chlorophenyl)methylcarbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[(4-chlorophenyl)methylcarbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[(4-chlorophenyl)methylamino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-chlorophenyl)methylcarbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[(4-chlorobenzyl)thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C13H21ClN3S+ MolecularWeight: 286.84394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20ClN3S/c1-17(2)9-3-8-15-13(18)16-10-11-4-6-12(14)7-5-11/h4-7H,3,8-10H2,1-2H3,(H2,15,16,18)/p+1