(2R)-4-[(2-methylphenyl)amino]-2-morpholin-4-ium-4-yl-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(2-methylphenyl)amino]-2-morpholin-4-ium-4-yl-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(2-methylanilino)-2-morpholin-4-ium-4-yl-4-oxo-butanoate CAS Name: (2R)-4-(2-methylanilino)-2-(4-morpholin-4-iumyl)-4-oxobutanoate IUPAC Name: (2R)-4-(2-methylanilino)-2-morpholin-4-ium-4-yl-4-oxobutanoate Traditional Name: (2R)-4-keto-2-morpholin-4-ium-4-yl-4-(o-toluidino)butyrate Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CC(C(=O)[O-])[NH+]2CCOCC2

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C[C@H](C(=O)[O-])[NH+]2CCOCC2

InChI

InChI=1S/C15H20N2O4/c1-11-4-2-3-5-12(11)16-14(18)10-13(15(19)20)17-6-8-21-9-7-17/h2-5,13H,6-10H2,1H3,(H,16,18)(H,19,20)/t13-/m1/s1