[4-(3,4-dimethylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [4-(3,4-dimethylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [4-(3,4-dimethylphenyl)-3-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [4-(3,4-dimethylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [4-(3,4-dimethylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [4-(3,4-dimethylphenyl)-3-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C24H33N5S+2 MolecularWeight: 423.61732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN(C2=S)C[NH+](C)C3CC[NH+](CC3)C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN(C2=S)C[NH+](C)C3CC[NH+](CC3)C)C4=CC=CC=C4)C

InChI

InChI=1S/C24H31N5S/c1-18-10-11-22(16-19(18)2)29-23(20-8-6-5-7-9-20)25-28(24(29)30)17-27(4)21-12-14-26(3)15-13-21/h5-11,16,21H,12-15,17H2,1-4H3/p+2