4-[(E)-[(5Z)-5-[(4-carboxylatophenyl)methylidene]-1-ethyl-4-oxidanylidene-piperidin-1-ium-3-ylidene]methyl]benzoate

Systemtic Name: 4-[(E)-[(5Z)-5-[(4-carboxylatophenyl)methylidene]-1-ethyl-4-oxidanylidene-piperidin-1-ium-3-ylidene]methyl]benzoate Openeye Name: 4-[(E)-[(5Z)-5-[(4-carboxylatophenyl)methylene]-1-ethyl-4-oxo-piperidin-1-ium-3-ylidene]methyl]benzoate CAS Name: 4-[(E)-[(5Z)-5-[(4-carboxylatophenyl)methylidene]-1-ethyl-4-oxo-3-piperidin-1-iumylidene]methyl]benzoate IUPAC Name: 4-[(E)-[(5Z)-5-[(4-carboxylatophenyl)methylidene]-1-ethyl-4-oxopiperidin-1-ium-3-ylidene]methyl]benzoate Traditional Name: 4-[(E)-[(5Z)-5-(4-carboxylatobenzylidene)-1-ethyl-4-keto-piperidin-1-ium-3-ylidene]methyl]benzoate Formula: C23H20NO5- MolecularWeight: 390.4086

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC(=CC2=CC=C(C=C2)C(=O)[O-])C(=O)C(=CC3=CC=C(C=C3)C(=O)[O-])C1

Isomeric SMILES

CC[NH+]1C/C(=C\C2=CC=C(C=C2)C(=O)[O-])/C(=O)/C(=C\C3=CC=C(C=C3)C(=O)[O-])/C1

InChI

InChI=1S/C23H21NO5/c1-2-24-13-19(11-15-3-7-17(8-4-15)22(26)27)21(25)20(14-24)12-16-5-9-18(10-6-16)23(28)29/h3-12H,2,13-14H2,1H3,(H,26,27)(H,28,29)/p-1/b19-11-,20-12+