(E)-4-oxidanyl-4-oxidanylidene-but-2-enoate; (4-oxidanyl-1,2,3,4-tetrahydroacridin-9-yl)-(phenylmethyl)azanium

Systemtic Name: (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate; (4-oxidanyl-1,2,3,4-tetrahydroacridin-9-yl)-(phenylmethyl)azanium Openeye Name: benzyl-(4-hydroxy-1,2,3,4-tetrahydroacridin-9-yl)ammonium; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: (E)-4-hydroxy-4-oxo-2-butenoate; (4-hydroxy-1,2,3,4-tetrahydroacridin-9-yl)-(phenylmethyl)ammonium IUPAC Name: benzyl-(4-hydroxy-1,2,3,4-tetrahydroacridin-9-yl)azanium; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: benzyl-(4-hydroxy-1,2,3,4-tetrahydroacridin-9-yl)ammonium; (E)-4-hydroxy-4-keto-but-2-enoate Formula: C24H24N2O5 MolecularWeight: 420.45776

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=NC3=CC=CC=C3C(=C2C1)[NH2+]CC4=CC=CC=C4)O.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C1CC(C2=NC3=CC=CC=C3C(=C2C1)[NH2+]CC4=CC=CC=C4)O.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C20H20N2O.C4H4O4/c23-18-12-6-10-16-19(21-13-14-7-2-1-3-8-14)15-9-4-5-11-17(15)22-20(16)18;5-3(6)1-2-4(7)8/h1-5,7-9,11,18,23H,6,10,12-13H2,(H,21,22);1-2H,(H,5,6)(H,7,8)/b;2-1+