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

Systemtic Name: 3-butoxypropyl-[[3-ethoxy-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)oxy]phenyl]methyl]azanium Openeye Name: 3-butoxypropyl-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxy-phenyl]methyl]ammonium CAS Name: 3-butoxypropyl-[[3-ethoxy-4-[(1-phenyl-5-tetrazolyl)oxy]phenyl]methyl]ammonium IUPAC Name: 3-butoxypropyl-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]azanium Traditional Name: 3-butoxypropyl-[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxy-benzyl]ammonium Formula: C23H32N5O3+ MolecularWeight: 426.53188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O3/c1-3-5-15-29-16-9-14-24-18-19-12-13-21(22(17-19)30-4-2)31-23-25-26-27-28(23)20-10-7-6-8-11-20/h6-8,10-13,17,24H,3-5,9,14-16,18H2,1-2H3/p+1