1-adamantylmethyl-[[2-(4-fluoranyl-3-methoxy-phenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-(2-hydroxyethyl)azanium

Systemtic Name: 1-adamantylmethyl-[[2-(4-fluoranyl-3-methoxy-phenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-(2-hydroxyethyl)azanium Openeye Name: 1-adamantylmethyl-[[2-(4-fluoro-3-methoxy-phenyl)-5-methyl-oxazol-4-yl]methyl]-(2-hydroxyethyl)ammonium CAS Name: 1-adamantylmethyl-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-4-oxazolyl]methyl]-(2-hydroxyethyl)ammonium IUPAC Name: 1-adamantylmethyl-[[2-(4-fluoro-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-(2-hydroxyethyl)azanium Traditional Name: 1-adamantylmethyl-[[2-(4-fluoro-3-methoxy-phenyl)-5-methyl-oxazol-4-yl]methyl]-(2-hydroxyethyl)ammonium Formula: C25H34FN2O3+ MolecularWeight: 429.547463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC(=C(C=C2)F)OC)C[NH+](CCO)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC(=C(C=C2)F)OC)C[NH+](CCO)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H33FN2O3/c1-16-22(27-24(31-16)20-3-4-21(26)23(10-20)30-2)14-28(5-6-29)15-25-11-17-7-18(12-25)9-19(8-17)13-25/h3-4,10,17-19,29H,5-9,11-15H2,1-2H3/p+1