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

Systemtic Name: methyl 4-[(2R)-2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propoxy]benzoate Openeye Name: methyl 4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]benzoate CAS Name: 4-[(2R)-2-hydroxy-3-(1-pyrrolidin-1-iumyl)propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]benzoate Traditional Name: 4-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-yl-propoxy]benzoic acid methyl ester Formula: C15H22NO4+ MolecularWeight: 280.33948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(C[NH+]2CCCC2)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC[C@@H](C[NH+]2CCCC2)O

InChI

InChI=1S/C15H21NO4/c1-19-15(18)12-4-6-14(7-5-12)20-11-13(17)10-16-8-2-3-9-16/h4-7,13,17H,2-3,8-11H2,1H3/p+1/t13-/m1/s1