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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC=C(C=C4)C(=O)OC)C3=O)O

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC=C(C=C4)C(=O)OC)/C3=O)O

InChI

InChI=1S/C24H25NO5/c1-15-9-11-25(12-10-15)14-19-20(26)8-7-18-22(27)21(30-23(18)19)13-16-3-5-17(6-4-16)24(28)29-2/h3-8,13,15,26H,9-12,14H2,1-2H3/p+1/b21-13-