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

Systemtic Name: 3-butoxypropyl-[[3-methoxy-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)oxy]phenyl]methyl]azanium Openeye Name: 3-butoxypropyl-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxy-phenyl]methyl]ammonium CAS Name: 3-butoxypropyl-[[3-methoxy-4-[(1-phenyl-5-tetrazolyl)oxy]phenyl]methyl]ammonium IUPAC Name: 3-butoxypropyl-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]azanium Traditional Name: 3-butoxypropyl-[3-methoxy-4-(1-phenyltetrazol-5-yl)oxy-benzyl]ammonium Formula: C22H30N5O3+ MolecularWeight: 412.5053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O3/c1-3-4-14-29-15-8-13-23-17-18-11-12-20(21(16-18)28-2)30-22-24-25-26-27(22)19-9-6-5-7-10-19/h5-7,9-12,16,23H,3-4,8,13-15,17H2,1-2H3/p+1