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

Systemtic Name: (2R)-4-[(2,3-dimethylphenyl)amino]-2-morpholin-4-ium-4-yl-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(2,3-dimethylanilino)-2-morpholin-4-ium-4-yl-4-oxo-butanoate CAS Name: (2R)-4-(2,3-dimethylanilino)-2-(4-morpholin-4-iumyl)-4-oxobutanoate IUPAC Name: (2R)-4-(2,3-dimethylanilino)-2-morpholin-4-ium-4-yl-4-oxobutanoate Traditional Name: (2R)-4-(2,3-dimethylanilino)-4-keto-2-morpholin-4-ium-4-yl-butyrate Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4/c1-11-4-3-5-13(12(11)2)17-15(19)10-14(16(20)21)18-6-8-22-9-7-18/h3-5,14H,6-10H2,1-2H3,(H,17,19)(H,20,21)/t14-/m1/s1