3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl-(phenylmethyl)azanium

Systemtic Name: 3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]ammonium CAS Name: 3-[(1-methyl-5-tetrazolyl)thio]propyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]azanium Traditional Name: benzyl-[3-[(1-methyltetrazol-5-yl)thio]propyl]ammonium Formula: C12H18N5S+ MolecularWeight: 264.36982

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCC[NH2+]CC2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=N1)SCCC[NH2+]CC2=CC=CC=C2

InChI

InChI=1S/C12H17N5S/c1-17-12(14-15-16-17)18-9-5-8-13-10-11-6-3-2-4-7-11/h2-4,6-7,13H,5,8-10H2,1H3/p+1