(2S)-4-(4-methylphenyl)-2-(2-morpholin-4-ylethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-(4-methylphenyl)-2-(2-morpholin-4-ylethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2S)-2-(2-morpholinoethylammonio)-4-oxo-4-(p-tolyl)butanoate CAS Name: (2S)-4-(4-methylphenyl)-2-[2-(4-morpholinyl)ethylammonio]-4-oxobutanoate IUPAC Name: (2S)-4-(4-methylphenyl)-2-(2-morpholin-4-ylethylazaniumyl)-4-oxobutanoate Traditional Name: (2S)-4-keto-2-(2-morpholinoethylammonio)-4-(p-tolyl)butyrate Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C(=O)[O-])[NH2+]CCN2CCOCC2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[C@@H](C(=O)[O-])[NH2+]CCN2CCOCC2

InChI

InChI=1S/C17H24N2O4/c1-13-2-4-14(5-3-13)16(20)12-15(17(21)22)18-6-7-19-8-10-23-11-9-19/h2-5,15,18H,6-12H2,1H3,(H,21,22)/t15-/m0/s1