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

Systemtic Name: methyl 4-[(Z)-[7-(azepan-1-ium-1-ylmethyl)-6-oxidanyl-3-oxidanylidene-1-benzofuran-2-ylidene]methyl]benzoate Openeye Name: methyl 4-[(Z)-[7-(azepan-1-ium-1-ylmethyl)-6-hydroxy-3-oxo-benzofuran-2-ylidene]methyl]benzoate CAS Name: 4-[(Z)-[7-(1-azepan-1-iumylmethyl)-6-hydroxy-3-oxo-2-benzofuranylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-[7-(azepan-1-ium-1-ylmethyl)-6-hydroxy-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate Traditional Name: 4-[(Z)-[7-(azepan-1-ium-1-ylmethyl)-6-hydroxy-3-keto-coumaran-2-ylidene]methyl]benzoic acid methyl ester Formula: C24H26NO5+ MolecularWeight: 408.46694

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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+]4CCCCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCCCCC4

InChI

InChI=1S/C24H25NO5/c1-29-24(28)17-8-6-16(7-9-17)14-21-22(27)18-10-11-20(26)19(23(18)30-21)15-25-12-4-2-3-5-13-25/h6-11,14,26H,2-5,12-13,15H2,1H3/p+1/b21-14-