2-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-chloro-4-methyl-phenyl)carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-chloro-4-methylphenyl)carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[(3-chloro-4-methyl-phenyl)thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C12H19ClN3S+ MolecularWeight: 272.81736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC[NH+](C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCC[NH+](C)C)Cl

InChI

InChI=1S/C12H18ClN3S/c1-9-4-5-10(8-11(9)13)15-12(17)14-6-7-16(2)3/h4-5,8H,6-7H2,1-3H3,(H2,14,15,17)/p+1