methyl (3S)-4-oxidanylidene-4-phenylazanyl-3-pyrrolidin-1-ium-1-yl-butanoate

Systemtic Name: methyl (3S)-4-oxidanylidene-4-phenylazanyl-3-pyrrolidin-1-ium-1-yl-butanoate Openeye Name: methyl (3S)-4-anilino-4-oxo-3-pyrrolidin-1-ium-1-yl-butanoate CAS Name: (3S)-4-anilino-4-oxo-3-(1-pyrrolidin-1-iumyl)butanoic acid methyl ester IUPAC Name: methyl (3S)-4-anilino-4-oxo-3-pyrrolidin-1-ium-1-ylbutanoate Traditional Name: (3S)-4-anilino-4-keto-3-pyrrolidin-1-ium-1-yl-butyric acid methyl ester Formula: C15H21N2O3+ MolecularWeight: 277.33884

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)NC1=CC=CC=C1)[NH+]2CCCC2

Isomeric SMILES

COC(=O)C[C@@H](C(=O)NC1=CC=CC=C1)[NH+]2CCCC2

InChI

InChI=1S/C15H20N2O3/c1-20-14(18)11-13(17-9-5-6-10-17)15(19)16-12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,16,19)/p+1/t13-/m0/s1