3-[(3-chloranyl-4-methyl-phenyl)carbamothioyl-[3-(dimethylazaniumyl)propyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(3-chloranyl-4-methyl-phenyl)carbamothioyl-[3-(dimethylazaniumyl)propyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(3-chloro-4-methyl-phenyl)carbamothioyl-[3-(dimethylammonio)propyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]-[3-(dimethylammonio)propyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(3-chloro-4-methylphenyl)carbamothioyl-[3-(dimethylazaniumyl)propyl]amino]propyl-dimethylazanium Traditional Name: 3-[(3-chloro-4-methyl-phenyl)thiocarbamoyl-[3-(dimethylammonio)propyl]amino]propyl-dimethyl-ammonium Formula: C18H33ClN4S+2 MolecularWeight: 372.99942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31ClN4S/c1-15-8-9-16(14-17(15)19)20-18(24)23(12-6-10-21(2)3)13-7-11-22(4)5/h8-9,14H,6-7,10-13H2,1-5H3,(H,20,24)/p+2