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

Systemtic Name: 2-adamantyl-[[3-methoxy-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)oxy]phenyl]methyl]azanium Openeye Name: 2-adamantyl-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxy-phenyl]methyl]ammonium CAS Name: 2-adamantyl-[[3-methoxy-4-[(1-phenyl-5-tetrazolyl)oxy]phenyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]azanium Traditional Name: 2-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+]C2C3CC4CC(C3)CC2C4)OC5=NN=NN5C6=CC=CC=C6

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)OC5=NN=NN5C6=CC=CC=C6

InChI

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