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

Systemtic Name: 3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl-(naphthalen-1-ylmethyl)azanium Openeye Name: 3-(1-methyltetrazol-5-yl)sulfanylpropyl-(1-naphthylmethyl)ammonium CAS Name: 3-[(1-methyl-5-tetrazolyl)thio]propyl-(1-naphthalenylmethyl)ammonium IUPAC Name: 3-(1-methyltetrazol-5-yl)sulfanylpropyl-(naphthalen-1-ylmethyl)azanium Traditional Name: 3-[(1-methyltetrazol-5-yl)thio]propyl-(1-naphthylmethyl)ammonium Formula: C16H20N5S+ MolecularWeight: 314.4285

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCC[NH2+]CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CN1C(=NN=N1)SCCC[NH2+]CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C16H19N5S/c1-21-16(18-19-20-21)22-11-5-10-17-12-14-8-4-7-13-6-2-3-9-15(13)14/h2-4,6-9,17H,5,10-12H2,1H3/p+1