ditert-butyl 2-(2-methoxyphenyl)pyrrolidin-1-ium-1,1-dicarboxylate; 5-oxabicyclo[2.1.1]hexane

Systemtic Name: ditert-butyl 2-(2-methoxyphenyl)pyrrolidin-1-ium-1,1-dicarboxylate; 5-oxabicyclo[2.1.1]hexane Openeye Name: ditert-butyl 2-(2-methoxyphenyl)pyrrolidin-1-ium-1,1-dicarboxylate; 5-oxabicyclo[2.1.1]hexane CAS Name: 2-(2-methoxyphenyl)pyrrolidin-1-ium-1,1-dicarboxylic acid ditert-butyl ester; 5-oxabicyclo[2.1.1]hexane IUPAC Name: ditert-butyl 2-(2-methoxyphenyl)pyrrolidin-1-ium-1,1-dicarboxylate; 5-oxabicyclo[2.1.1]hexane Traditional Name: 2-(2-methoxyphenyl)pyrrolidin-1-ium-1,1-dicarboxylic acid ditert-butyl ester; 5-oxabicyclo[2.1.1]hexane Formula: C26H40NO6+ MolecularWeight: 462.5989

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCC1C2=CC=CC=C2OC)C(=O)OC(C)(C)C.C1CC2CC1O2

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCC1C2=CC=CC=C2OC)C(=O)OC(C)(C)C.C1CC2CC1O2

InChI

InChI=1S/C21H32NO5.C5H8O/c1-20(2,3)26-18(23)22(19(24)27-21(4,5)6)14-10-12-16(22)15-11-8-9-13-17(15)25-7;1-2-5-3-4(1)6-5/h8-9,11,13,16H,10,12,14H2,1-7H3;4-5H,1-3H2/q+1;