ethyl 4-[(2R)-3-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethyl 4-[(2R)-3-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 4-[(2R)-2-hydroxy-3-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]propoxy]benzoate CAS Name: 4-[(2R)-2-hydroxy-3-[(2R)-2-(4-methoxyphenyl)-1-pyrrolidin-1-iumyl]propoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-2-hydroxy-3-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]propoxy]benzoate Traditional Name: 4-[(2R)-2-hydroxy-3-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]propoxy]benzoic acid ethyl ester Formula: C23H30NO5+ MolecularWeight: 400.488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(C[NH+]2CCCC2C3=CC=C(C=C3)OC)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC[C@@H](C[NH+]2CCC[C@@H]2C3=CC=C(C=C3)OC)O

InChI

InChI=1S/C23H29NO5/c1-3-28-23(26)18-8-12-21(13-9-18)29-16-19(25)15-24-14-4-5-22(24)17-6-10-20(27-2)11-7-17/h6-13,19,22,25H,3-5,14-16H2,1-2H3/p+1/t19-,22-/m1/s1