(2Z)-6-oxidanyl-7-(piperidin-1-ium-1-ylmethyl)-2-(pyridin-4-ylmethylidene)-1-benzofuran-3-one

Systemtic Name: (2Z)-6-oxidanyl-7-(piperidin-1-ium-1-ylmethyl)-2-(pyridin-4-ylmethylidene)-1-benzofuran-3-one Openeye Name: (2Z)-6-hydroxy-7-(piperidin-1-ium-1-ylmethyl)-2-(4-pyridylmethylene)benzofuran-3-one CAS Name: (2Z)-6-hydroxy-7-(1-piperidin-1-iumylmethyl)-2-(pyridin-4-ylmethylidene)-3-benzofuranone IUPAC Name: (2Z)-6-hydroxy-7-(piperidin-1-ium-1-ylmethyl)-2-(pyridin-4-ylmethylidene)-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-7-(piperidin-1-ium-1-ylmethyl)-2-(4-pyridylmethylene)coumaran-3-one Formula: C20H21N2O3+ MolecularWeight: 337.39234

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC=NC=C4)C3=O)O

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC=NC=C4)/C3=O)O

InChI

InChI=1S/C20H20N2O3/c23-17-5-4-15-19(24)18(12-14-6-8-21-9-7-14)25-20(15)16(17)13-22-10-2-1-3-11-22/h4-9,12,23H,1-3,10-11,13H2/p+1/b18-12-