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

Systemtic Name: (2Z)-2-[(4-methylphenyl)methylidene]-7-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-6-hydroxy-7-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-2-(p-tolylmethylene)benzofuran-3-one CAS Name: (2Z)-6-hydroxy-2-[(4-methylphenyl)methylidene]-7-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-3-benzofuranone IUPAC Name: (2Z)-6-hydroxy-2-[(4-methylphenyl)methylidene]-7-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-2-(4-methylbenzylidene)-7-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]coumaran-3-one Formula: C23H26NO3+ MolecularWeight: 364.45744

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=CC4=CC=C(C=C4)C)C3=O)O

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC2=C(C=CC3=C2O/C(=C\C4=CC=C(C=C4)C)/C3=O)O

InChI

InChI=1S/C23H25NO3/c1-15-5-7-17(8-6-15)12-21-22(26)18-9-10-20(25)19(23(18)27-21)14-24-11-3-4-16(2)13-24/h5-10,12,16,25H,3-4,11,13-14H2,1-2H3/p+1/b21-12-/t16-/m1/s1