3-imidazol-1-ylpropyl-[[3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)oxy]phenyl]methyl]azanium

Systemtic Name: 3-imidazol-1-ylpropyl-[[3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)oxy]phenyl]methyl]azanium Openeye Name: 3-imidazol-1-ylpropyl-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ammonium CAS Name: 3-(1-imidazolyl)propyl-[[3-[(1-phenyl-5-tetrazolyl)oxy]phenyl]methyl]ammonium IUPAC Name: 3-imidazol-1-ylpropyl-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]azanium Traditional Name: 3-imidazol-1-ylpropyl-[3-(1-phenyltetrazol-5-yl)oxybenzyl]ammonium Formula: C20H22N7O+ MolecularWeight: 376.43498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)OC3=CC=CC(=C3)C[NH2+]CCCN4C=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)OC3=CC=CC(=C3)C[NH2+]CCCN4C=CN=C4

InChI

InChI=1S/C20H21N7O/c1-2-7-18(8-3-1)27-20(23-24-25-27)28-19-9-4-6-17(14-19)15-21-10-5-12-26-13-11-22-16-26/h1-4,6-9,11,13-14,16,21H,5,10,12,15H2/p+1