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

Systemtic Name: 1-adamantylmethyl-(2-hydroxyethyl)-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]azanium Openeye Name: 1-adamantylmethyl-(2-hydroxyethyl)-[[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]ammonium CAS Name: 1-adamantylmethyl-(2-hydroxyethyl)-[[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]ammonium IUPAC Name: 1-adamantylmethyl-(2-hydroxyethyl)-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]azanium Traditional Name: 1-adamantylmethyl-(2-hydroxyethyl)-[[3-(2-pyridyl)-1,2,4-oxadiazol-5-yl]methyl]ammonium Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C[NH+](CCO)CC4=NC(=NO4)C5=CC=CC=N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C[NH+](CCO)CC4=NC(=NO4)C5=CC=CC=N5

InChI

InChI=1S/C21H28N4O2/c26-6-5-25(13-19-23-20(24-27-19)18-3-1-2-4-22-18)14-21-10-15-7-16(11-21)9-17(8-15)12-21/h1-4,15-17,26H,5-14H2/p+1