4-oxidanyl-4-oxidanylidene-butanoate; [(E)-(1,2,5-trimethylpiperidin-1-ium-4-ylidene)amino] benzoate

Systemtic Name: 4-oxidanyl-4-oxidanylidene-butanoate; [(E)-(1,2,5-trimethylpiperidin-1-ium-4-ylidene)amino] benzoate Openeye Name: 4-hydroxy-4-oxo-butanoate; [(E)-(1,2,5-trimethylpiperidin-1-ium-4-ylidene)amino] benzoate CAS Name: benzoic acid [(E)-(1,2,5-trimethyl-4-piperidin-1-iumylidene)amino] ester; 4-hydroxy-4-oxobutanoate IUPAC Name: 4-hydroxy-4-oxobutanoate; [(E)-(1,2,5-trimethylpiperidin-1-ium-4-ylidene)amino] benzoate Traditional Name: benzoic acid [(E)-(1,2,5-trimethylpiperidin-1-ium-4-ylidene)amino] ester; 4-hydroxy-4-keto-butyrate Formula: C19H26N2O6 MolecularWeight: 378.41954

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=NOC(=O)C2=CC=CC=C2)C(C[NH+]1C)C.C(CC(=O)[O-])C(=O)O

Isomeric SMILES

CC1C/C(=N\OC(=O)C2=CC=CC=C2)/C(C[NH+]1C)C.C(CC(=O)[O-])C(=O)O

InChI

InChI=1S/C15H20N2O2.C4H6O4/c1-11-10-17(3)12(2)9-14(11)16-19-15(18)13-7-5-4-6-8-13;5-3(6)1-2-4(7)8/h4-8,11-12H,9-10H2,1-3H3;1-2H2,(H,5,6)(H,7,8)/b16-14+;