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

Systemtic Name: 3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate Openeye Name: 3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate CAS Name: 3-[2-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]propanoate IUPAC Name: 3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]propanoate Traditional Name: 3-[2-(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=C2CCC(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCOC2=CC=CC=C2CCC(=O)[O-]

InChI

InChI=1S/C15H21NO3/c17-15(18)8-7-13-5-1-2-6-14(13)19-12-11-16-9-3-4-10-16/h1-2,5-6H,3-4,7-12H2,(H,17,18)