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

Systemtic Name: 1-adamantyl-[[3-ethoxy-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)oxy]phenyl]methyl]azanium Openeye Name: 1-adamantyl-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxy-phenyl]methyl]ammonium CAS Name: 1-adamantyl-[[3-ethoxy-4-[(1-phenyl-5-tetrazolyl)oxy]phenyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]azanium Traditional Name: 1-adamantyl-[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxy-benzyl]ammonium Formula: C26H32N5O2+ MolecularWeight: 446.56458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)OC5=NN=NN5C6=CC=CC=C6

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)OC5=NN=NN5C6=CC=CC=C6

InChI

InChI=1S/C26H31N5O2/c1-2-32-24-13-18(17-27-26-14-19-10-20(15-26)12-21(11-19)16-26)8-9-23(24)33-25-28-29-30-31(25)22-6-4-3-5-7-22/h3-9,13,19-21,27H,2,10-12,14-17H2,1H3/p+1