[(1S)-1-(1-adamantyl)ethyl]-[(3-pyrimidin-2-yloxyphenyl)methyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)[NH2+]CC4=CC(=CC=C4)OC5=NC=CC=N5

Isomeric SMILES

C[C@@H](C12CC3CC(C1)CC(C3)C2)[NH2+]CC4=CC(=CC=C4)OC5=NC=CC=N5

InChI

InChI=1S/C23H29N3O/c1-16(23-12-18-8-19(13-23)10-20(9-18)14-23)26-15-17-4-2-5-21(11-17)27-22-24-6-3-7-25-22/h2-7,11,16,18-20,26H,8-10,12-15H2,1H3/p+1/t16-,18?,19?,20?,23?/m0/s1