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

Systemtic Name: [4-[[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [4-[[(3-chloro-4-methyl-phenyl)carbamothioylamino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [4-[[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [4-[[(3-chloro-4-methylphenyl)carbamothioylamino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [4-[[(3-chloro-4-methyl-phenyl)thiocarbamoylamino]methyl]benzyl]-dimethyl-ammonium Formula: C18H23ClN3S+ MolecularWeight: 348.91332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C[NH+](C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C[NH+](C)C)Cl

InChI

InChI=1S/C18H22ClN3S/c1-13-4-9-16(10-17(13)19)21-18(23)20-11-14-5-7-15(8-6-14)12-22(2)3/h4-10H,11-12H2,1-3H3,(H2,20,21,23)/p+1