4-[(E)-[(5E)-5-[(4-carboxylatophenyl)methylidene]-4-oxidanylidene-1-pyridin-1-ium-2-yl-piperidin-3-ylidene]methyl]benzoate

Systemtic Name: 4-[(E)-[(5E)-5-[(4-carboxylatophenyl)methylidene]-4-oxidanylidene-1-pyridin-1-ium-2-yl-piperidin-3-ylidene]methyl]benzoate Openeye Name: 4-[(E)-[(5E)-5-[(4-carboxylatophenyl)methylene]-4-oxo-1-pyridin-1-ium-2-yl-3-piperidylidene]methyl]benzoate CAS Name: 4-[(E)-[(5E)-5-[(4-carboxylatophenyl)methylidene]-4-oxo-1-(2-pyridin-1-iumyl)-3-piperidinylidene]methyl]benzoate IUPAC Name: 4-[(E)-[(5E)-5-[(4-carboxylatophenyl)methylidene]-4-oxo-1-pyridin-1-ium-2-ylpiperidin-3-ylidene]methyl]benzoate Traditional Name: 4-[(E)-[(5E)-5-(4-carboxylatobenzylidene)-4-keto-1-pyridin-1-ium-2-yl-3-piperidylidene]methyl]benzoate Formula: C26H19N2O5- MolecularWeight: 439.43946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=CC=C(C=C2)C(=O)[O-])C(=O)C(=CC3=CC=C(C=C3)C(=O)[O-])CN1C4=CC=CC=[NH+]4

Isomeric SMILES

C\1N(C/C(=C\C2=CC=C(C=C2)C(=O)[O-])/C(=O)/C1=C/C3=CC=C(C=C3)C(=O)[O-])C4=CC=CC=[NH+]4

InChI

InChI=1S/C26H20N2O5/c29-24-21(13-17-4-8-19(9-5-17)25(30)31)15-28(23-3-1-2-12-27-23)16-22(24)14-18-6-10-20(11-7-18)26(32)33/h1-14H,15-16H2,(H,30,31)(H,32,33)/p-1/b21-13+,22-14+