2-[[1-(2,5-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethyl-(2-hydroxyethyl)azanium

Systemtic Name: 2-[[1-(2,5-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethyl-(2-hydroxyethyl)azanium Openeye Name: 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylethyl-(2-hydroxyethyl)ammonium CAS Name: 2-[[1-(2,5-dimethylphenyl)-5-tetrazolyl]thio]ethyl-(2-hydroxyethyl)ammonium IUPAC Name: 2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylethyl-(2-hydroxyethyl)azanium Traditional Name: 2-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]thio]ethyl-(2-hydroxyethyl)ammonium Formula: C13H20N5OS+ MolecularWeight: 294.3958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=NN=N2)SCC[NH2+]CCO

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=NN=N2)SCC[NH2+]CCO

InChI

InChI=1S/C13H19N5OS/c1-10-3-4-11(2)12(9-10)18-13(15-16-17-18)20-8-6-14-5-7-19/h3-4,9,14,19H,5-8H2,1-2H3/p+1