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

Systemtic Name: methyl 4-[(Z)-[7-(morpholin-4-ium-4-ylmethyl)-6-oxidanyl-3-oxidanylidene-1-benzofuran-2-ylidene]methyl]benzoate Openeye Name: methyl 4-[(Z)-[6-hydroxy-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-benzofuran-2-ylidene]methyl]benzoate CAS Name: 4-[(Z)-[6-hydroxy-7-(4-morpholin-4-iumylmethyl)-3-oxo-2-benzofuranylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-[6-hydroxy-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate Traditional Name: 4-[(Z)-[6-hydroxy-3-keto-7-(morpholin-4-ium-4-ylmethyl)coumaran-2-ylidene]methyl]benzoic acid methyl ester Formula: C22H22NO6+ MolecularWeight: 396.41318

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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+]4CCOCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCOCC4

InChI

InChI=1S/C22H21NO6/c1-27-22(26)15-4-2-14(3-5-15)12-19-20(25)16-6-7-18(24)17(21(16)29-19)13-23-8-10-28-11-9-23/h2-7,12,24H,8-11,13H2,1H3/p+1/b19-12-