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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[(1-phenyl-5-tetrazolyl)thio]ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium Traditional Name: 2-[(1-phenyltetrazol-5-yl)thio]ethyl-piperonyl-ammonium Formula: C17H18N5O2S+ MolecularWeight: 356.42212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]CCSC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]CCSC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C17H17N5O2S/c1-2-4-14(5-3-1)22-17(19-20-21-22)25-9-8-18-11-13-6-7-15-16(10-13)24-12-23-15/h1-7,10,18H,8-9,11-12H2/p+1