[(5S,7R)-3-oxidanyl-1-adamantyl]-[(4-phenylmethoxyphenyl)methyl]azanium

Systemtic Name: [(5S,7R)-3-oxidanyl-1-adamantyl]-[(4-phenylmethoxyphenyl)methyl]azanium Openeye Name: (4-benzyloxyphenyl)methyl-[(5S,7R)-3-hydroxy-1-adamantyl]ammonium CAS Name: [(5S,7R)-3-hydroxy-1-adamantyl]-[(4-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: [(5S,7R)-3-hydroxy-1-adamantyl]-[(4-phenylmethoxyphenyl)methyl]azanium Traditional Name: (4-benzoxybenzyl)-[(5S,7R)-3-hydroxy-1-adamantyl]ammonium Formula: C24H30NO2+ MolecularWeight: 364.5005

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)[NH2+]CC4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)[NH2+]CC4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C24H29NO2/c26-24-13-20-10-21(14-24)12-23(11-20,17-24)25-15-18-6-8-22(9-7-18)27-16-19-4-2-1-3-5-19/h1-9,20-21,25-26H,10-17H2/p+1/t20-,21+,23?,24?