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

Systemtic Name: 3-[3-(dimethylazaniumyl)propyl-[(4-methylphenyl)carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[3-(dimethylammonio)propyl-(p-tolylcarbamothioyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[3-(dimethylammonio)propyl-[(4-methylanilino)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[3-(dimethylazaniumyl)propyl-[(4-methylphenyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[3-(dimethylammonio)propyl-(p-tolylthiocarbamoyl)amino]propyl-dimethyl-ammonium Formula: C18H34N4S+2 MolecularWeight: 338.55436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)N(CCC[NH+](C)C)CCC[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N(CCC[NH+](C)C)CCC[NH+](C)C

InChI

InChI=1S/C18H32N4S/c1-16-8-10-17(11-9-16)19-18(23)22(14-6-12-20(2)3)15-7-13-21(4)5/h8-11H,6-7,12-15H2,1-5H3,(H,19,23)/p+2