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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32N4S/c1-16-9-6-10-17(15-16)19-18(23)22(13-7-11-20(2)3)14-8-12-21(4)5/h6,9-10,15H,7-8,11-14H2,1-5H3,(H,19,23)/p+2