2-pyrrolidin-1-ium-1-ylethyl 3-(3-methylphenoxy)propanoate

Systemtic Name: 2-pyrrolidin-1-ium-1-ylethyl 3-(3-methylphenoxy)propanoate Openeye Name: 2-pyrrolidin-1-ium-1-ylethyl 3-(3-methylphenoxy)propanoate CAS Name: 3-(3-methylphenoxy)propanoic acid 2-(1-pyrrolidin-1-iumyl)ethyl ester IUPAC Name: 2-pyrrolidin-1-ium-1-ylethyl 3-(3-methylphenoxy)propanoate Traditional Name: 3-(3-methylphenoxy)propionic acid 2-pyrrolidin-1-ium-1-ylethyl ester Formula: C16H24NO3+ MolecularWeight: 278.36666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCC(=O)OCC[NH+]2CCCC2

Isomeric SMILES

CC1=CC(=CC=C1)OCCC(=O)OCC[NH+]2CCCC2

InChI

InChI=1S/C16H23NO3/c1-14-5-4-6-15(13-14)19-11-7-16(18)20-12-10-17-8-2-3-9-17/h4-6,13H,2-3,7-12H2,1H3/p+1