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

Systemtic Name: hexyl-[[3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)oxy]phenyl]methyl]azanium Openeye Name: hexyl-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ammonium CAS Name: hexyl-[[3-[(1-phenyl-5-tetrazolyl)oxy]phenyl]methyl]ammonium IUPAC Name: hexyl-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]azanium Traditional Name: hexyl-[3-(1-phenyltetrazol-5-yl)oxybenzyl]ammonium Formula: C20H26N5O+ MolecularWeight: 352.45334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH2+]CC1=CC(=CC=C1)OC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCCCCC[NH2+]CC1=CC(=CC=C1)OC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C20H25N5O/c1-2-3-4-8-14-21-16-17-10-9-13-19(15-17)26-20-22-23-24-25(20)18-11-6-5-7-12-18/h5-7,9-13,15,21H,2-4,8,14,16H2,1H3/p+1