3-[[3,5-bis(chloranyl)phenyl]carbamothioyl-(phenylmethyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[3,5-bis(chloranyl)phenyl]carbamothioyl-(phenylmethyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[benzyl-[(3,5-dichlorophenyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3,5-dichloroanilino)-sulfanylidenemethyl]-(phenylmethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[benzyl-[(3,5-dichlorophenyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[benzyl-[(3,5-dichlorophenyl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C19H24Cl2N3S+ MolecularWeight: 397.38496

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CC1=CC=CC=C1)C(=S)NC2=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

C[NH+](C)CCCN(CC1=CC=CC=C1)C(=S)NC2=CC(=CC(=C2)Cl)Cl

InChI

InChI=1S/C19H23Cl2N3S/c1-23(2)9-6-10-24(14-15-7-4-3-5-8-15)19(25)22-18-12-16(20)11-17(21)13-18/h3-5,7-8,11-13H,6,9-10,14H2,1-2H3,(H,22,25)/p+1