ethyl 1-[(2R)-3-dibenzofuran-2-yloxy-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2R)-3-dibenzofuran-2-yloxy-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2R)-3-dibenzofuran-2-yloxy-2-hydroxy-propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-3-(2-dibenzofuranyloxy)-2-hydroxypropyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2R)-3-dibenzofuran-2-yloxy-2-hydroxy-propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H28NO5+ MolecularWeight: 398.47212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(COC2=CC3=C(C=C2)OC4=CC=CC=C43)O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)C[C@H](COC2=CC3=C(C=C2)OC4=CC=CC=C43)O

InChI

InChI=1S/C23H27NO5/c1-2-27-23(26)16-9-11-24(12-10-16)14-17(25)15-28-18-7-8-22-20(13-18)19-5-3-4-6-21(19)29-22/h3-8,13,16-17,25H,2,9-12,14-15H2,1H3/p+1/t17-/m1/s1