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

Systemtic Name: 1-adamantyl-[[3-methoxy-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)oxy]phenyl]methyl]azanium Openeye Name: 1-adamantyl-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxy-phenyl]methyl]ammonium CAS Name: 1-adamantyl-[[3-methoxy-4-[(1-phenyl-5-tetrazolyl)oxy]phenyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]azanium Traditional Name: 1-adamantyl-[3-methoxy-4-(1-phenyltetrazol-5-yl)oxy-benzyl]ammonium Formula: C25H30N5O2+ MolecularWeight: 432.538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)OC5=NN=NN5C6=CC=CC=C6

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)OC5=NN=NN5C6=CC=CC=C6

InChI

InChI=1S/C25H29N5O2/c1-31-23-12-17(16-26-25-13-18-9-19(14-25)11-20(10-18)15-25)7-8-22(23)32-24-27-28-29-30(24)21-5-3-2-4-6-21/h2-8,12,18-20,26H,9-11,13-16H2,1H3/p+1