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

Systemtic Name: 1-adamantylmethyl-(2-hydroxyethyl)-[[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]methyl]azanium Openeye Name: 1-adamantylmethyl-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-(2-hydroxyethyl)ammonium CAS Name: 1-adamantylmethyl-(2-hydroxyethyl)-[[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ammonium IUPAC Name: 1-adamantylmethyl-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-(2-hydroxyethyl)azanium Traditional Name: 1-adamantylmethyl-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-(2-hydroxyethyl)ammonium Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C[NH+](CCO)CC4=NC(=NO4)CC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C[NH+](CCO)CC4=NC(=NO4)CC5=CC=CC=C5

InChI

InChI=1S/C23H31N3O2/c27-7-6-26(16-23-12-18-8-19(13-23)10-20(9-18)14-23)15-22-24-21(25-28-22)11-17-4-2-1-3-5-17/h1-5,18-20,27H,6-16H2/p+1