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

Systemtic Name: (2Z)-7-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-6-oxidanyl-2-(pyridin-4-ylmethylidene)-1-benzofuran-3-one Openeye Name: (2Z)-6-hydroxy-7-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-2-(4-pyridylmethylene)benzofuran-3-one CAS Name: (2Z)-6-hydroxy-7-[[(2R)-2-methyl-1-piperidin-1-iumyl]methyl]-2-(pyridin-4-ylmethylidene)-3-benzofuranone IUPAC Name: (2Z)-6-hydroxy-7-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-2-(pyridin-4-ylmethylidene)-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-7-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-2-(4-pyridylmethylene)coumaran-3-one Formula: C21H23N2O3+ MolecularWeight: 351.41892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3/c1-14-4-2-3-11-23(14)13-17-18(24)6-5-16-20(25)19(26-21(16)17)12-15-7-9-22-10-8-15/h5-10,12,14,24H,2-4,11,13H2,1H3/p+1/b19-12-/t14-/m1/s1