2-(1-adamantyl)ethyl-methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]azanium

Systemtic Name: 2-(1-adamantyl)ethyl-methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]azanium Openeye Name: 2-(1-adamantyl)ethyl-methyl-[[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]ammonium CAS Name: 2-(1-adamantyl)ethyl-methyl-[[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]ammonium IUPAC Name: 2-(1-adamantyl)ethyl-methyl-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]azanium Traditional Name: 2-(1-adamantyl)ethyl-methyl-[[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]ammonium Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC12CC3CC(C1)CC(C3)C2)CC4=NC(=NO4)C5=CC=CC=N5

Isomeric SMILES

C[NH+](CCC12CC3CC(C1)CC(C3)C2)CC4=NC(=NO4)C5=CC=CC=N5

InChI

InChI=1S/C21H28N4O/c1-25(14-19-23-20(24-26-19)18-4-2-3-6-22-18)7-5-21-11-15-8-16(12-21)10-17(9-15)13-21/h2-4,6,15-17H,5,7-14H2,1H3/p+1