1-(4-cyclopentylphenyl)-2-morpholin-4-ium-4-yl-ethanone; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 1-(4-cyclopentylphenyl)-2-morpholin-4-ium-4-yl-ethanone; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 1-(4-cyclopentylphenyl)-2-morpholin-4-ium-4-yl-ethanone; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 1-(4-cyclopentylphenyl)-2-(4-morpholin-4-iumyl)ethanone; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 1-(4-cyclopentylphenyl)-2-morpholin-4-ium-4-ylethanone; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 1-(4-cyclopentylphenyl)-2-morpholin-4-ium-4-yl-ethanone; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=CC=C(C=C2)C(=O)C[NH+]3CCOCC3.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C1CCC(C1)C2=CC=C(C=C2)C(=O)C[NH+]3CCOCC3.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C17H23NO2.C4H4O4/c19-17(13-18-9-11-20-12-10-18)16-7-5-15(6-8-16)14-3-1-2-4-14;5-3(6)1-2-4(7)8/h5-8,14H,1-4,9-13H2;1-2H,(H,5,6)(H,7,8)/b;2-1-