(2Z)-2-[(4-methoxyphenyl)methylidene]-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxidanyl-1-benzofuran-3-one

Systemtic Name: (2Z)-2-[(4-methoxyphenyl)methylidene]-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-6-hydroxy-2-[(4-methoxyphenyl)methylene]-7-[(4-methylpiperidin-1-ium-1-yl)methyl]benzofuran-3-one CAS Name: (2Z)-6-hydroxy-2-[(4-methoxyphenyl)methylidene]-7-[(4-methyl-1-piperidin-1-iumyl)methyl]-3-benzofuranone IUPAC Name: (2Z)-6-hydroxy-2-[(4-methoxyphenyl)methylidene]-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-p-anisylidene-coumaran-3-one Formula: C23H26NO4+ MolecularWeight: 380.45684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO4/c1-15-9-11-24(12-10-15)14-19-20(25)8-7-18-22(26)21(28-23(18)19)13-16-3-5-17(27-2)6-4-16/h3-8,13,15,25H,9-12,14H2,1-2H3/p+1/b21-13-