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

Systemtic Name: 3-[3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate Openeye Name: 3-[3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate CAS Name: 3-[3-ethoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]propanoate IUPAC Name: 3-[3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate Traditional Name: 3-[3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propionate Formula: C17H25NO4 MolecularWeight: 307.3847

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CCC(=O)[O-])OCC[NH+]2CCCC2

Isomeric SMILES

CCOC1=C(C=CC(=C1)CCC(=O)[O-])OCC[NH+]2CCCC2

InChI

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