[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]-prop-2-enyl-azanium; 4-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]-prop-2-enyl-azanium; 4-oxidanyl-4-oxidanylidene-butanoate Openeye Name: allyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]ammonium; 4-hydroxy-4-oxo-butanoate CAS Name: 4-hydroxy-4-oxobutanoate; [2-oxo-2-(2,4,6-trimethylanilino)ethyl]-prop-2-enylammonium IUPAC Name: 4-hydroxy-4-oxobutanoate; [2-oxo-2-(2,4,6-trimethylanilino)ethyl]-prop-2-enylazanium Traditional Name: allyl-(2-keto-2-mesidino-ethyl)ammonium; 4-hydroxy-4-keto-butyrate Formula: C18H26N2O5 MolecularWeight: 350.40944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O.C4H6O4/c1-5-6-15-9-13(17)16-14-11(3)7-10(2)8-12(14)4;5-3(6)1-2-4(7)8/h5,7-8,15H,1,6,9H2,2-4H3,(H,16,17);1-2H2,(H,5,6)(H,7,8)