(2Z)-6-oxidanyl-2-(phenylmethylidene)-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one

Systemtic Name: (2Z)-6-oxidanyl-2-(phenylmethylidene)-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Openeye Name: (2Z)-2-benzylidene-6-hydroxy-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-3-one CAS Name: (2Z)-6-hydroxy-2-(phenylmethylene)-7-(1-pyrrolidin-1-iumylmethyl)-3-benzofuranone IUPAC Name: (2Z)-2-benzylidene-6-hydroxy-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Traditional Name: (2Z)-2-benzal-6-hydroxy-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-3-one Formula: C20H20NO3+ MolecularWeight: 322.3777

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO3/c22-17-9-8-15-19(23)18(12-14-6-2-1-3-7-14)24-20(15)16(17)13-21-10-4-5-11-21/h1-3,6-9,12,22H,4-5,10-11,13H2/p+1/b18-12-