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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O2/c1-3-4-5-9-14-22-16-17-12-13-19(20(15-17)27-2)28-21-23-24-25-26(21)18-10-7-6-8-11-18/h6-8,10-13,15,22H,3-5,9,14,16H2,1-2H3/p+1