(2E)-6-oxidanyl-2-(pyridin-3-ylmethylidene)-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one

Systemtic Name: (2E)-6-oxidanyl-2-(pyridin-3-ylmethylidene)-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Openeye Name: (2E)-6-hydroxy-2-(3-pyridylmethylene)-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-3-one CAS Name: (2E)-6-hydroxy-2-(3-pyridinylmethylidene)-7-(1-pyrrolidin-1-iumylmethyl)-3-benzofuranone IUPAC Name: (2E)-6-hydroxy-2-(pyridin-3-ylmethylidene)-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Traditional Name: (2E)-6-hydroxy-2-(3-pyridylmethylene)-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-3-one Formula: C19H19N2O3+ MolecularWeight: 323.36576

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C=CC3=C2OC(=CC4=CN=CC=C4)C3=O)O

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C=CC3=C2O/C(=C/C4=CN=CC=C4)/C3=O)O

InChI

InChI=1S/C19H18N2O3/c22-16-6-5-14-18(23)17(10-13-4-3-7-20-11-13)24-19(14)15(16)12-21-8-1-2-9-21/h3-7,10-11,22H,1-2,8-9,12H2/p+1/b17-10+