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

Systemtic Name: naphthalen-1-ylmethyl-[3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl]azanium Openeye Name: 1-naphthylmethyl-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]ammonium CAS Name: 1-naphthalenylmethyl-[3-[(1-phenyl-5-tetrazolyl)thio]propyl]ammonium IUPAC Name: naphthalen-1-ylmethyl-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]azanium Traditional Name: 1-naphthylmethyl-[3-[(1-phenyltetrazol-5-yl)thio]propyl]ammonium Formula: C21H22N5S+ MolecularWeight: 376.49788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCCC[NH2+]CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCCC[NH2+]CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H21N5S/c1-2-11-19(12-3-1)26-21(23-24-25-26)27-15-7-14-22-16-18-10-6-9-17-8-4-5-13-20(17)18/h1-6,8-13,22H,7,14-16H2/p+1