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

Systemtic Name: 3-[3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate Openeye Name: 3-[3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate CAS Name: 3-[3-methoxy-2-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]propanoate IUPAC Name: 3-[3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate Traditional Name: 3-[3-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=CC(=C1OCC[NH+]2CCCC2)CCC(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OCC[NH+]2CCCC2)CCC(=O)[O-]

InChI

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