4-morpholin-4-ium-4-yl-1-[2-(phenylcarbonyl)pyrrol-1-yl]butan-2-one; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 4-morpholin-4-ium-4-yl-1-[2-(phenylcarbonyl)pyrrol-1-yl]butan-2-one; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 1-(2-benzoylpyrrol-1-yl)-4-morpholin-4-ium-4-yl-butan-2-one; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 1-(2-benzoyl-1-pyrrolyl)-4-(4-morpholin-4-iumyl)-2-butanone; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 1-(2-benzoylpyrrol-1-yl)-4-morpholin-4-ium-4-ylbutan-2-one; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 1-(2-benzoylpyrrol-1-yl)-4-morpholin-4-ium-4-yl-butan-2-one; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C23H26N2O7 MolecularWeight: 442.46174

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCC(=O)CN2C=CC=C2C(=O)C3=CC=CC=C3.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C1COCC[NH+]1CCC(=O)CN2C=CC=C2C(=O)C3=CC=CC=C3.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C19H22N2O3.C4H4O4/c22-17(8-10-20-11-13-24-14-12-20)15-21-9-4-7-18(21)19(23)16-5-2-1-3-6-16;5-3(6)1-2-4(7)8/h1-7,9H,8,10-15H2;1-2H,(H,5,6)(H,7,8)/b;2-1-