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

Systemtic Name: 1-adamantylmethyl-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-methyl-azanium Openeye Name: 1-adamantylmethyl-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-methyl-ammonium CAS Name: 1-adamantylmethyl-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-methylammonium IUPAC Name: 1-adamantylmethyl-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-methylazanium Traditional Name: 1-adamantylmethyl-[[3-(3-fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl]-methyl-ammonium Formula: C22H29FN3O+ MolecularWeight: 370.483563

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC(=NO1)CC2=CC(=CC=C2)F)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[NH+](CC1=NC(=NO1)CC2=CC(=CC=C2)F)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H28FN3O/c1-26(14-22-10-16-5-17(11-22)7-18(6-16)12-22)13-21-24-20(25-27-21)9-15-3-2-4-19(23)8-15/h2-4,8,16-18H,5-7,9-14H2,1H3/p+1