2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl-(phenylmethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl-(phenylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzyl-[(3-chloro-4-fluoro-phenyl)carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]-(phenylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[benzyl-[(3-chloro-4-fluorophenyl)carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzyl-[(3-chloro-4-fluoro-phenyl)thiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C18H22ClFN3S+ MolecularWeight: 366.903783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClFN3S/c1-22(2)10-11-23(13-14-6-4-3-5-7-14)18(24)21-15-8-9-17(20)16(19)12-15/h3-9,12H,10-11,13H2,1-2H3,(H,21,24)/p+1