ethyl 3-oxidanylidene-3-[(2R)-1-(phenylmethyl)pyrrolidin-1-ium-2-yl]propanoate

Systemtic Name: ethyl 3-oxidanylidene-3-[(2R)-1-(phenylmethyl)pyrrolidin-1-ium-2-yl]propanoate Openeye Name: ethyl 3-[(2R)-1-benzylpyrrolidin-1-ium-2-yl]-3-oxo-propanoate CAS Name: 3-oxo-3-[(2R)-1-(phenylmethyl)-2-pyrrolidin-1-iumyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(2R)-1-benzylpyrrolidin-1-ium-2-yl]-3-oxopropanoate Traditional Name: 3-[(2R)-1-benzylpyrrolidin-1-ium-2-yl]-3-keto-propionic acid ethyl ester Formula: C16H22NO3+ MolecularWeight: 276.35078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)C1CCC[NH+]1CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC(=O)[C@H]1CCC[NH+]1CC2=CC=CC=C2

InChI

InChI=1S/C16H21NO3/c1-2-20-16(19)11-15(18)14-9-6-10-17(14)12-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3/p+1/t14-/m1/s1