methyl-[[4-methyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-(3-phenylpropyl)azanium

Systemtic Name: methyl-[[4-methyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-(3-phenylpropyl)azanium Openeye Name: methyl-[[4-methyl-5-(4-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-(3-phenylpropyl)ammonium CAS Name: methyl-[[4-methyl-5-(pyridin-4-ylmethylthio)-1,2,4-triazol-3-yl]methyl]-(3-phenylpropyl)ammonium IUPAC Name: methyl-[[4-methyl-5-(pyridin-4-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-(3-phenylpropyl)azanium Traditional Name: methyl-[[4-methyl-5-(4-pyridylmethylthio)-1,2,4-triazol-3-yl]methyl]-(3-phenylpropyl)ammonium Formula: C20H26N5S+ MolecularWeight: 368.51894

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=NC=C2)C[NH+](C)CCCC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=NC=C2)C[NH+](C)CCCC3=CC=CC=C3

InChI

InChI=1S/C20H25N5S/c1-24(14-6-9-17-7-4-3-5-8-17)15-19-22-23-20(25(19)2)26-16-18-10-12-21-13-11-18/h3-5,7-8,10-13H,6,9,14-16H2,1-2H3/p+1