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

Systemtic Name: 3-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate Openeye Name: 3-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate CAS Name: 3-[3-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]propanoate IUPAC Name: 3-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate Traditional Name: 3-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propionate Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=CC=CC(=C2)CCC(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCOC2=CC=CC(=C2)CCC(=O)[O-]

InChI

InChI=1S/C15H21NO3/c17-15(18)7-6-13-4-3-5-14(12-13)19-11-10-16-8-1-2-9-16/h3-5,12H,1-2,6-11H2,(H,17,18)