methyl-[(2-piperidin-1-ylphenyl)methyl]-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]azanium

Systemtic Name: methyl-[(2-piperidin-1-ylphenyl)methyl]-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]azanium Openeye Name: methyl-[[2-(1-piperidyl)phenyl]methyl]-[[5-(2-thienyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]ammonium CAS Name: methyl-[[2-(1-piperidinyl)phenyl]methyl]-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]ammonium IUPAC Name: methyl-[(2-piperidin-1-ylphenyl)methyl]-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]azanium Traditional Name: methyl-(2-piperidinobenzyl)-[[5-(2-thienyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]ammonium Formula: C20H26N5S2+ MolecularWeight: 400.58394

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1N2CCCCC2)CN3C(=S)N=C(N3)C4=CC=CS4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1N2CCCCC2)CN3C(=S)N=C(N3)C4=CC=CS4

InChI

InChI=1S/C20H25N5S2/c1-23(15-25-20(26)21-19(22-25)18-10-7-13-27-18)14-16-8-3-4-9-17(16)24-11-5-2-6-12-24/h3-4,7-10,13H,2,5-6,11-12,14-15H2,1H3,(H,21,22,26)/p+1