methyl 4-[(Z)-[6-oxidanyl-3-oxidanylidene-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-2-ylidene]methyl]benzoate

Systemtic Name: methyl 4-[(Z)-[6-oxidanyl-3-oxidanylidene-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-2-ylidene]methyl]benzoate Openeye Name: methyl 4-[(Z)-[6-hydroxy-3-oxo-7-(piperidin-1-ium-1-ylmethyl)benzofuran-2-ylidene]methyl]benzoate CAS Name: 4-[(Z)-[6-hydroxy-3-oxo-7-(1-piperidin-1-iumylmethyl)-2-benzofuranylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-[6-hydroxy-3-oxo-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-2-ylidene]methyl]benzoate Traditional Name: 4-[(Z)-[6-hydroxy-3-keto-7-(piperidin-1-ium-1-ylmethyl)coumaran-2-ylidene]methyl]benzoic acid methyl ester Formula: C23H24NO5+ MolecularWeight: 394.44036

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCCCC4

InChI

InChI=1S/C23H23NO5/c1-28-23(27)16-7-5-15(6-8-16)13-20-21(26)17-9-10-19(25)18(22(17)29-20)14-24-11-3-2-4-12-24/h5-10,13,25H,2-4,11-12,14H2,1H3/p+1/b20-13-