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

Systemtic Name: methyl-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: methyl-[[4-methyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: methyl-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: methyl-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: methyl-[[4-methyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-(2-piperidinobenzyl)ammonium Formula: C22H29N6S+ MolecularWeight: 409.57086

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+](C)CC2=CC=CC=C2N3CCCCC3)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+](C)CC2=CC=CC=C2N3CCCCC3)C4=CC=NC=C4

InChI

InChI=1S/C22H28N6S/c1-25(16-19-8-4-5-9-20(19)27-14-6-3-7-15-27)17-28-22(29)26(2)21(24-28)18-10-12-23-13-11-18/h4-5,8-13H,3,6-7,14-17H2,1-2H3/p+1