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

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C23H29N5O2S+2 MolecularWeight: 439.57366

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CN2C(=S)N(C(=N2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)CN2C(=S)N(C(=N2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C23H27N5O2S/c1-25-12-10-18(11-13-25)26(2)15-27-23(31)28(19-6-4-3-5-7-19)22(24-27)17-8-9-20-21(14-17)30-16-29-20/h3-9,14,18H,10-13,15-16H2,1-2H3/p+2