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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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