1-[[1-(4-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]methyl]piperazin-4-ium

Systemtic Name: 1-[[1-(4-ethoxyphenyl)-1,2,3,4-tetrazol-5-yl]methyl]piperazin-4-ium Openeye Name: 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]piperazin-4-ium CAS Name: 1-[[1-(4-ethoxyphenyl)-5-tetrazolyl]methyl]piperazin-4-ium IUPAC Name: 1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]piperazin-4-ium Traditional Name: 1-[(1-p-phenetyltetrazol-5-yl)methyl]piperazin-4-ium Formula: C14H21N6O+ MolecularWeight: 289.35614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=N2)CN3CC[NH2+]CC3

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=N2)CN3CC[NH2+]CC3

InChI

InChI=1S/C14H20N6O/c1-2-21-13-5-3-12(4-6-13)20-14(16-17-18-20)11-19-9-7-15-8-10-19/h3-6,15H,2,7-11H2,1H3/p+1