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

Systemtic Name: 3-[3-(dimethylazaniumyl)propyl-[(3-fluoranyl-4-methyl-phenyl)carbamothioyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[3-(dimethylammonio)propyl-[(3-fluoro-4-methyl-phenyl)carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[3-(dimethylammonio)propyl-[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[3-(dimethylazaniumyl)propyl-[(3-fluoro-4-methylphenyl)carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[3-(dimethylammonio)propyl-[(3-fluoro-4-methyl-phenyl)thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C18H33FN4S+2 MolecularWeight: 356.544823

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C18H31FN4S/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