(2R)-4-[(3-methylphenyl)amino]-2-morpholin-4-ium-4-yl-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(3-methylphenyl)amino]-2-morpholin-4-ium-4-yl-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(3-methylanilino)-2-morpholin-4-ium-4-yl-4-oxo-butanoate CAS Name: (2R)-4-(3-methylanilino)-2-(4-morpholin-4-iumyl)-4-oxobutanoate IUPAC Name: (2R)-4-(3-methylanilino)-2-morpholin-4-ium-4-yl-4-oxobutanoate Traditional Name: (2R)-4-keto-2-morpholin-4-ium-4-yl-4-(m-toluidino)butyrate Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CC(C(=O)[O-])[NH+]2CCOCC2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C[C@H](C(=O)[O-])[NH+]2CCOCC2

InChI

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