3-[4-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate

Systemtic Name: 3-[4-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate Openeye Name: 3-[4-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate CAS Name: 3-[4-methoxy-2-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]propanoate IUPAC Name: 3-[4-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate Traditional Name: 3-[4-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propionate Formula: C16H23NO4 MolecularWeight: 293.35812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CCC(=O)[O-])OCC[NH+]2CCCC2

Isomeric SMILES

COC1=CC(=C(C=C1)CCC(=O)[O-])OCC[NH+]2CCCC2

InChI

InChI=1S/C16H23NO4/c1-20-14-6-4-13(5-7-16(18)19)15(12-14)21-11-10-17-8-2-3-9-17/h4,6,12H,2-3,5,7-11H2,1H3,(H,18,19)