(2Z)-2-(1-benzofuran-2-ylmethylidene)-4-methyl-6-oxidanyl-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one

Systemtic Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-4-methyl-6-oxidanyl-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Openeye Name: (2Z)-2-(benzofuran-2-ylmethylene)-6-hydroxy-4-methyl-7-(piperidin-1-ium-1-ylmethyl)benzofuran-3-one CAS Name: (2Z)-2-(2-benzofuranylmethylidene)-6-hydroxy-4-methyl-7-(1-piperidin-1-iumylmethyl)-3-benzofuranone IUPAC Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-6-hydroxy-4-methyl-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Traditional Name: (2Z)-2-(benzofuran-2-ylmethylene)-6-hydroxy-4-methyl-7-(piperidin-1-ium-1-ylmethyl)coumaran-3-one Formula: C24H24NO4+ MolecularWeight: 390.45166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CC4=CC=CC=C4O3)O2)C[NH+]5CCCCC5)O

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC4=CC=CC=C4O3)/O2)C[NH+]5CCCCC5)O

InChI

InChI=1S/C24H23NO4/c1-15-11-19(26)18(14-25-9-5-2-6-10-25)24-22(15)23(27)21(29-24)13-17-12-16-7-3-4-8-20(16)28-17/h3-4,7-8,11-13,26H,2,5-6,9-10,14H2,1H3/p+1/b21-13-