3-[3-(dimethylazaniumyl)propyl-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[3-(dimethylazaniumyl)propyl-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[3-(dimethylammonio)propyl-[(4-methyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[3-(dimethylammonio)propyl-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[3-(dimethylazaniumyl)propyl-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]propyl-dimethylazanium Traditional Name: 3-[3-(dimethylammonio)propyl-[(4-methyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]amino]propyl-dimethyl-ammonium Formula: C20H36N6S+2 MolecularWeight: 392.60504

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN(CCC[NH+](C)C)CCC[NH+](C)C)C2=CC=CC=C2

Isomeric SMILES

CN1C(=NN(C1=S)CN(CCC[NH+](C)C)CCC[NH+](C)C)C2=CC=CC=C2

InChI

InChI=1S/C20H34N6S/c1-22(2)13-9-15-25(16-10-14-23(3)4)17-26-20(27)24(5)19(21-26)18-11-7-6-8-12-18/h6-8,11-12H,9-10,13-17H2,1-5H3/p+2