3-[3-chloranyl-5-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate

Systemtic Name: 3-[3-chloranyl-5-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate Openeye Name: 3-[3-chloro-5-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate CAS Name: 3-[3-chloro-5-ethoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]propanoate IUPAC Name: 3-[3-chloro-5-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate Traditional Name: 3-[3-chloro-5-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propionate Formula: C17H24ClNO4 MolecularWeight: 341.82976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24ClNO4/c1-2-22-15-12-13(5-6-16(20)21)11-14(18)17(15)23-10-9-19-7-3-4-8-19/h11-12H,2-10H2,1H3,(H,20,21)