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

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

CC1=CC(=C(C2=C1C(=O)C(=CC3=CC=C(C=C3)C(=O)OC)O2)C[NH+]4CCCC4)O

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC=C(C=C3)C(=O)OC)/O2)C[NH+]4CCCC4)O

InChI

InChI=1S/C23H23NO5/c1-14-11-18(25)17(13-24-9-3-4-10-24)22-20(14)21(26)19(29-22)12-15-5-7-16(8-6-15)23(27)28-2/h5-8,11-12,25H,3-4,9-10,13H2,1-2H3/p+1/b19-12-