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

Systemtic Name: 1-adamantylmethyl-(2-hydroxyethyl)-[[2-(4-methoxycarbonylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]azanium Openeye Name: 1-adamantylmethyl-(2-hydroxyethyl)-[[2-(4-methoxycarbonylphenyl)-5-methyl-oxazol-4-yl]methyl]ammonium CAS Name: 1-adamantylmethyl-(2-hydroxyethyl)-[[2-(4-methoxycarbonylphenyl)-5-methyl-4-oxazolyl]methyl]ammonium IUPAC Name: 1-adamantylmethyl-(2-hydroxyethyl)-[[2-(4-methoxycarbonylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]azanium Traditional Name: 1-adamantylmethyl-[[2-(4-carbomethoxyphenyl)-5-methyl-oxazol-4-yl]methyl]-(2-hydroxyethyl)ammonium Formula: C26H35N2O4+ MolecularWeight: 439.5671

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O4/c1-17-23(27-24(32-17)21-3-5-22(6-4-21)25(30)31-2)15-28(7-8-29)16-26-12-18-9-19(13-26)11-20(10-18)14-26/h3-6,18-20,29H,7-16H2,1-2H3/p+1