(2Z)-2-[(3-methylphenyl)methylidene]-6-oxidanyl-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one

Systemtic Name: (2Z)-2-[(3-methylphenyl)methylidene]-6-oxidanyl-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Openeye Name: (2Z)-6-hydroxy-2-(m-tolylmethylene)-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-3-one CAS Name: (2Z)-6-hydroxy-2-[(3-methylphenyl)methylidene]-7-(1-pyrrolidin-1-iumylmethyl)-3-benzofuranone IUPAC Name: (2Z)-6-hydroxy-2-[(3-methylphenyl)methylidene]-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-2-(3-methylbenzylidene)-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-3-one Formula: C21H22NO3+ MolecularWeight: 336.40428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCCC4

Isomeric SMILES

CC1=CC=CC(=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCCC4

InChI

InChI=1S/C21H21NO3/c1-14-5-4-6-15(11-14)12-19-20(24)16-7-8-18(23)17(21(16)25-19)13-22-9-2-3-10-22/h4-8,11-12,23H,2-3,9-10,13H2,1H3/p+1/b19-12-