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

Systemtic Name: 1-adamantylmethyl-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-(2-hydroxyethyl)azanium Openeye Name: 1-adamantylmethyl-[[2-(2,5-dimethoxyphenyl)-5-methyl-oxazol-4-yl]methyl]-(2-hydroxyethyl)ammonium CAS Name: 1-adamantylmethyl-[[2-(2,5-dimethoxyphenyl)-5-methyl-4-oxazolyl]methyl]-(2-hydroxyethyl)ammonium IUPAC Name: 1-adamantylmethyl-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-(2-hydroxyethyl)azanium Traditional Name: 1-adamantylmethyl-[[2-(2,5-dimethoxyphenyl)-5-methyl-oxazol-4-yl]methyl]-(2-hydroxyethyl)ammonium Formula: C26H37N2O4+ MolecularWeight: 441.58298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O4/c1-17-23(27-25(32-17)22-11-21(30-2)4-5-24(22)31-3)15-28(6-7-29)16-26-12-18-8-19(13-26)10-20(9-18)14-26/h4-5,11,18-20,29H,6-10,12-16H2,1-3H3/p+1