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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=CC4=CC=C(C=C4)C)C3=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO3/c1-15-6-8-17(9-7-15)13-21-22(26)18-10-11-20(25)19(23(18)27-21)14-24-12-4-3-5-16(24)2/h6-11,13,16,25H,3-5,12,14H2,1-2H3/p+1/b21-13-/t16-/m0/s1