[(5S,7R)-3-oxidanyl-1-adamantyl]-[(3-pyrimidin-2-yloxyphenyl)methyl]azanium

Systemtic Name: [(5S,7R)-3-oxidanyl-1-adamantyl]-[(3-pyrimidin-2-yloxyphenyl)methyl]azanium Openeye Name: [(5S,7R)-3-hydroxy-1-adamantyl]-[(3-pyrimidin-2-yloxyphenyl)methyl]ammonium CAS Name: [(5S,7R)-3-hydroxy-1-adamantyl]-[[3-(2-pyrimidinyloxy)phenyl]methyl]ammonium IUPAC Name: [(5S,7R)-3-hydroxy-1-adamantyl]-[(3-pyrimidin-2-yloxyphenyl)methyl]azanium Traditional Name: [(5S,7R)-3-hydroxy-1-adamantyl]-[3-(2-pyrimidyloxy)benzyl]ammonium Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)[NH2+]CC4=CC(=CC=C4)OC5=NC=CC=N5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)[NH2+]CC4=CC(=CC=C4)OC5=NC=CC=N5

InChI

InChI=1S/C21H25N3O2/c25-21-11-16-7-17(12-21)10-20(9-16,14-21)24-13-15-3-1-4-18(8-15)26-19-22-5-2-6-23-19/h1-6,8,16-17,24-25H,7,9-14H2/p+1/t16-,17+,20?,21?