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

Systemtic Name: 2-adamantyl-[(3-pyrimidin-2-yloxyphenyl)methyl]azanium Openeye Name: 2-adamantyl-[(3-pyrimidin-2-yloxyphenyl)methyl]ammonium CAS Name: 2-adamantyl-[[3-(2-pyrimidinyloxy)phenyl]methyl]ammonium IUPAC Name: 2-adamantyl-[(3-pyrimidin-2-yloxyphenyl)methyl]azanium Traditional Name: 2-adamantyl-[3-(2-pyrimidyloxy)benzyl]ammonium Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3[NH2+]CC4=CC(=CC=C4)OC5=NC=CC=N5

Isomeric SMILES

C1C2CC3CC1CC(C2)C3[NH2+]CC4=CC(=CC=C4)OC5=NC=CC=N5

InChI

InChI=1S/C21H25N3O/c1-3-14(12-19(4-1)25-21-22-5-2-6-23-21)13-24-20-17-8-15-7-16(10-17)11-18(20)9-15/h1-6,12,15-18,20,24H,7-11,13H2/p+1