trimethyl-[2-oxidanyl-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl]azanium

Systemtic Name: trimethyl-[2-oxidanyl-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl]azanium Openeye Name: [2-hydroxy-3-(1-phenyltetrazol-5-yl)sulfanyl-propyl]-trimethyl-ammonium CAS Name: [2-hydroxy-3-[(1-phenyl-5-tetrazolyl)thio]propyl]-trimethylammonium IUPAC Name: [2-hydroxy-3-(1-phenyltetrazol-5-yl)sulfanylpropyl]-trimethylazanium Traditional Name: [2-hydroxy-3-[(1-phenyltetrazol-5-yl)thio]propyl]-trimethyl-ammonium Formula: C13H20N5OS+ MolecularWeight: 294.3958

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CSC1=NN=NN1C2=CC=CC=C2)O

Isomeric SMILES

C[N+](C)(C)CC(CSC1=NN=NN1C2=CC=CC=C2)O

InChI

InChI=1S/C13H20N5OS/c1-18(2,3)9-12(19)10-20-13-14-15-16-17(13)11-7-5-4-6-8-11/h4-8,12,19H,9-10H2,1-3H3/q+1