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

Systemtic Name: methyl 3-methoxy-4-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]benzoate Openeye Name: methyl 4-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-3-methoxy-benzoate CAS Name: 4-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-3-methoxybenzoate Traditional Name: 4-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-3-methoxy-benzoic acid methyl ester Formula: C17H26NO5+ MolecularWeight: 324.39204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)OCC(C[NH+]2CCCCC2)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)OC[C@@H](C[NH+]2CCCCC2)O

InChI

InChI=1S/C17H25NO5/c1-21-16-10-13(17(20)22-2)6-7-15(16)23-12-14(19)11-18-8-4-3-5-9-18/h6-7,10,14,19H,3-5,8-9,11-12H2,1-2H3/p+1/t14-/m1/s1