3-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl-(phenylmethyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl-(phenylmethyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[benzyl-[(3-chloro-4-fluoro-phenyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]-(phenylmethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[benzyl-[(3-chloro-4-fluorophenyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[benzyl-[(3-chloro-4-fluoro-phenyl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C19H24ClFN3S+ MolecularWeight: 380.930363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClFN3S/c1-23(2)11-6-12-24(14-15-7-4-3-5-8-15)19(25)22-16-9-10-18(21)17(20)13-16/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,22,25)/p+1