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

Systemtic Name: [3-ethoxy-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)oxy]phenyl]methyl-hexyl-azanium Openeye Name: [3-ethoxy-4-(1-phenyltetrazol-5-yl)oxy-phenyl]methyl-hexyl-ammonium CAS Name: [3-ethoxy-4-[(1-phenyl-5-tetrazolyl)oxy]phenyl]methyl-hexylammonium IUPAC Name: [3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl-hexylazanium Traditional Name: [3-ethoxy-4-(1-phenyltetrazol-5-yl)oxy-benzyl]-hexyl-ammonium Formula: C22H30N5O2+ MolecularWeight: 396.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O2/c1-3-5-6-10-15-23-17-18-13-14-20(21(16-18)28-4-2)29-22-24-25-26-27(22)19-11-8-7-9-12-19/h7-9,11-14,16,23H,3-6,10,15,17H2,1-2H3/p+1