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

Systemtic Name: 1-adamantylmethyl-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-(2-hydroxyethyl)azanium Openeye Name: 1-adamantylmethyl-[[2-(2-ethoxyphenyl)-5-methyl-oxazol-4-yl]methyl]-(2-hydroxyethyl)ammonium CAS Name: 1-adamantylmethyl-[[2-(2-ethoxyphenyl)-5-methyl-4-oxazolyl]methyl]-(2-hydroxyethyl)ammonium IUPAC Name: 1-adamantylmethyl-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-(2-hydroxyethyl)azanium Traditional Name: 1-adamantylmethyl-(2-hydroxyethyl)-[(5-methyl-2-o-phenetyl-oxazol-4-yl)methyl]ammonium Formula: C26H37N2O3+ MolecularWeight: 425.58358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NC(=C(O2)C)C[NH+](CCO)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=CC=CC=C1C2=NC(=C(O2)C)C[NH+](CCO)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H36N2O3/c1-3-30-24-7-5-4-6-22(24)25-27-23(18(2)31-25)16-28(8-9-29)17-26-13-19-10-20(14-26)12-21(11-19)15-26/h4-7,19-21,29H,3,8-17H2,1-2H3/p+1