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

Systemtic Name: methyl 4-[(2R)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[(2R)-2-hydroxy-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propoxy]benzoate CAS Name: 4-[(2R)-2-hydroxy-3-[(3R)-3-methyl-1-piperidin-1-iumyl]propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-2-hydroxy-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propoxy]benzoate Traditional Name: 4-[(2R)-2-hydroxy-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propoxy]benzoic acid methyl ester Formula: C17H26NO4+ MolecularWeight: 308.39264

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(COC2=CC=C(C=C2)C(=O)OC)O

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)C[C@H](COC2=CC=C(C=C2)C(=O)OC)O

InChI

InChI=1S/C17H25NO4/c1-13-4-3-9-18(10-13)11-15(19)12-22-16-7-5-14(6-8-16)17(20)21-2/h5-8,13,15,19H,3-4,9-12H2,1-2H3/p+1/t13-,15-/m1/s1