1-[[4-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(3-phenyl-4-piperonyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C23H26N5O3S+ MolecularWeight: 452.54924

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CN2C(=S)N(C(=N2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CN2C(=S)N(C(=N2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H25N5O3S/c24-21(29)17-8-10-26(11-9-17)14-28-23(32)27(22(25-28)18-4-2-1-3-5-18)13-16-6-7-19-20(12-16)31-15-30-19/h1-7,12,17H,8-11,13-15H2,(H2,24,29)/p+1