2-[[3,5-bis(chloranyl)phenyl]carbamothioyl-(phenylmethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3,5-bis(chloranyl)phenyl]carbamothioyl-(phenylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzyl-[(3,5-dichlorophenyl)carbamothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3,5-dichloroanilino)-sulfanylidenemethyl]-(phenylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[benzyl-[(3,5-dichlorophenyl)carbamothioyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzyl-[(3,5-dichlorophenyl)thiocarbamoyl]amino]ethyl-dimethyl-ammonium Formula: C18H22Cl2N3S+ MolecularWeight: 383.35838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21Cl2N3S/c1-22(2)8-9-23(13-14-6-4-3-5-7-14)18(24)21-17-11-15(19)10-16(20)12-17/h3-7,10-12H,8-9,13H2,1-2H3,(H,21,24)/p+1