3-[(4-chlorophenyl)carbamothioyl-[3-(dimethylazaniumyl)propyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-chlorophenyl)carbamothioyl-[3-(dimethylazaniumyl)propyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-chlorophenyl)carbamothioyl-[3-(dimethylammonio)propyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-chloroanilino)-sulfanylidenemethyl]-[3-(dimethylammonio)propyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-chlorophenyl)carbamothioyl-[3-(dimethylazaniumyl)propyl]amino]propyl-dimethylazanium Traditional Name: 3-[(4-chlorophenyl)thiocarbamoyl-[3-(dimethylammonio)propyl]amino]propyl-dimethyl-ammonium Formula: C17H31ClN4S+2 MolecularWeight: 358.97284

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CCC[NH+](C)C)C(=S)NC1=CC=C(C=C1)Cl

Isomeric SMILES

C[NH+](C)CCCN(CCC[NH+](C)C)C(=S)NC1=CC=C(C=C1)Cl

InChI

InChI=1S/C17H29ClN4S/c1-20(2)11-5-13-22(14-6-12-21(3)4)17(23)19-16-9-7-15(18)8-10-16/h7-10H,5-6,11-14H2,1-4H3,(H,19,23)/p+2