1,3-benzodioxol-5-ylmethyl-[2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[(1-methyl-5-tetrazolyl)thio]ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-(1-methyltetrazol-5-yl)sulfanylethyl]azanium Traditional Name: 2-[(1-methyltetrazol-5-yl)thio]ethyl-piperonyl-ammonium Formula: C12H16N5O2S+ MolecularWeight: 294.35274

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC[NH2+]CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN1C(=NN=N1)SCC[NH2+]CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C12H15N5O2S/c1-17-12(14-15-16-17)20-5-4-13-7-9-2-3-10-11(6-9)19-8-18-10/h2-3,6,13H,4-5,7-8H2,1H3/p+1