methyl 3-methoxy-4-[(2R)-2-oxidanyl-3-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propoxy]benzoate

Systemtic Name: methyl 3-methoxy-4-[(2R)-2-oxidanyl-3-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propoxy]benzoate Openeye Name: methyl 4-[(2R)-2-hydroxy-3-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]propoxy]-3-methoxy-benzoate CAS Name: 4-[(2R)-2-hydroxy-3-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]propoxy]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-2-hydroxy-3-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propoxy]-3-methoxybenzoate Traditional Name: 4-[(2R)-2-hydroxy-3-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]propoxy]-3-methoxy-benzoic acid methyl ester Formula: C20H26NO5S+ MolecularWeight: 392.48914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)OCC(C[NH+]2CCCC2C3=CC=CS3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)OC[C@@H](C[NH+]2CCC[C@@H]2C3=CC=CS3)O

InChI

InChI=1S/C20H25NO5S/c1-24-18-11-14(20(23)25-2)7-8-17(18)26-13-15(22)12-21-9-3-5-16(21)19-6-4-10-27-19/h4,6-8,10-11,15-16,22H,3,5,9,12-13H2,1-2H3/p+1/t15-,16-/m1/s1