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

Systemtic Name: 3-butoxypropyl-[[3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)oxy]phenyl]methyl]azanium Openeye Name: 3-butoxypropyl-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ammonium CAS Name: 3-butoxypropyl-[[3-[(1-phenyl-5-tetrazolyl)oxy]phenyl]methyl]ammonium IUPAC Name: 3-butoxypropyl-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]azanium Traditional Name: 3-butoxypropyl-[3-(1-phenyltetrazol-5-yl)oxybenzyl]ammonium Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O2/c1-2-3-14-27-15-8-13-22-17-18-9-7-12-20(16-18)28-21-23-24-25-26(21)19-10-5-4-6-11-19/h4-7,9-12,16,22H,2-3,8,13-15,17H2,1H3/p+1