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

Systemtic Name: cyclooctyl-[[3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)oxy]phenyl]methyl]azanium Openeye Name: cyclooctyl-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ammonium CAS Name: cyclooctyl-[[3-[(1-phenyl-5-tetrazolyl)oxy]phenyl]methyl]ammonium IUPAC Name: cyclooctyl-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]azanium Traditional Name: cyclooctyl-[3-(1-phenyltetrazol-5-yl)oxybenzyl]ammonium Formula: C22H28N5O+ MolecularWeight: 378.49062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)[NH2+]CC2=CC(=CC=C2)OC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1CCCC(CCC1)[NH2+]CC2=CC(=CC=C2)OC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C22H27N5O/c1-2-5-11-19(12-6-3-1)23-17-18-10-9-15-21(16-18)28-22-24-25-26-27(22)20-13-7-4-8-14-20/h4,7-10,13-16,19,23H,1-3,5-6,11-12,17H2/p+1