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

Systemtic Name: (2Z)-4-methyl-7-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-6-oxidanyl-2-(pyridin-3-ylmethylidene)-1-benzofuran-3-one Openeye Name: (2Z)-6-hydroxy-4-methyl-7-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-2-(3-pyridylmethylene)benzofuran-3-one CAS Name: (2Z)-6-hydroxy-4-methyl-7-[[(2R)-2-methyl-1-piperidin-1-iumyl]methyl]-2-(3-pyridinylmethylidene)-3-benzofuranone IUPAC Name: (2Z)-6-hydroxy-4-methyl-7-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-2-(pyridin-3-ylmethylidene)-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-4-methyl-7-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-2-(3-pyridylmethylene)coumaran-3-one Formula: C22H25N2O3+ MolecularWeight: 365.4455

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3/c1-14-10-18(25)17(13-24-9-4-3-6-15(24)2)22-20(14)21(26)19(27-22)11-16-7-5-8-23-12-16/h5,7-8,10-12,15,25H,3-4,6,9,13H2,1-2H3/p+1/b19-11-/t15-/m1/s1