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

Systemtic Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-[(3-pyrimidin-2-yloxyphenyl)methyl]azanium Openeye Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-[(3-pyrimidin-2-yloxyphenyl)methyl]ammonium CAS Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-[[3-(2-pyrimidinyloxy)phenyl]methyl]ammonium IUPAC Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-[(3-pyrimidin-2-yloxyphenyl)methyl]azanium Traditional Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-[3-(2-pyrimidyloxy)benzyl]ammonium Formula: C23H30N3O+ MolecularWeight: 364.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)[NH2+]CC4=CC(=CC=C4)OC5=NC=CC=N5)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)[NH2+]CC4=CC(=CC=C4)OC5=NC=CC=N5)C

InChI

InChI=1S/C23H29N3O/c1-21-10-18-11-22(2,14-21)16-23(12-18,15-21)26-13-17-5-3-6-19(9-17)27-20-24-7-4-8-25-20/h3-9,18,26H,10-16H2,1-2H3/p+1/t18?,21-,22+,23?