3-ethoxy-3-phenyl-1-(3-piperidin-1-ium-1-ylpropyl)indol-2-one; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 3-ethoxy-3-phenyl-1-(3-piperidin-1-ium-1-ylpropyl)indol-2-one; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 3-ethoxy-3-phenyl-1-(3-piperidin-1-ium-1-ylpropyl)indolin-2-one; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 3-ethoxy-3-phenyl-1-[3-(1-piperidin-1-iumyl)propyl]-2-indolone; (E)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 3-ethoxy-3-phenyl-1-(3-piperidin-1-ium-1-ylpropyl)indol-2-one; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 3-ethoxy-3-phenyl-1-(3-piperidin-1-ium-1-ylpropyl)oxindole; (E)-4-hydroxy-4-keto-but-2-enoate Formula: C28H34N2O6 MolecularWeight: 494.57936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(C2=CC=CC=C2N(C1=O)CCC[NH+]3CCCCC3)C4=CC=CC=C4.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CCOC1(C2=CC=CC=C2N(C1=O)CCC[NH+]3CCCCC3)C4=CC=CC=C4.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C24H30N2O2.C4H4O4/c1-2-28-24(20-12-5-3-6-13-20)21-14-7-8-15-22(21)26(23(24)27)19-11-18-25-16-9-4-10-17-25;5-3(6)1-2-4(7)8/h3,5-8,12-15H,2,4,9-11,16-19H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+