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

Systemtic Name: 3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl-(pyridin-4-ylmethyl)azanium Openeye Name: 3-(1-methyltetrazol-5-yl)sulfanylpropyl-(4-pyridylmethyl)ammonium CAS Name: 3-[(1-methyl-5-tetrazolyl)thio]propyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: 3-(1-methyltetrazol-5-yl)sulfanylpropyl-(pyridin-4-ylmethyl)azanium Traditional Name: 3-[(1-methyltetrazol-5-yl)thio]propyl-(4-pyridylmethyl)ammonium Formula: C11H17N6S+ MolecularWeight: 265.35788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N6S/c1-17-11(14-15-16-17)18-8-2-5-13-9-10-3-6-12-7-4-10/h3-4,6-7,13H,2,5,8-9H2,1H3/p+1