2-[(3-chlorophenyl)methylcarbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3-chlorophenyl)methylcarbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-chlorophenyl)methylcarbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[(3-chlorophenyl)methylamino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-chlorophenyl)methylcarbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[(3-chlorobenzyl)thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C12H19ClN3S+ MolecularWeight: 272.81736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18ClN3S/c1-16(2)7-6-14-12(17)15-9-10-4-3-5-11(13)8-10/h3-5,8H,6-7,9H2,1-2H3,(H2,14,15,17)/p+1