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

Systemtic Name: (2Z)-2-[(3-methylthiophen-2-yl)methylidene]-6-oxidanyl-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Openeye Name: (2Z)-6-hydroxy-2-[(3-methyl-2-thienyl)methylene]-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-3-one CAS Name: (2Z)-6-hydroxy-2-[(3-methyl-2-thiophenyl)methylidene]-7-(1-pyrrolidin-1-iumylmethyl)-3-benzofuranone IUPAC Name: (2Z)-6-hydroxy-2-[(3-methylthiophen-2-yl)methylidene]-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-2-[(3-methyl-2-thienyl)methylene]-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-3-one Formula: C19H20NO3S+ MolecularWeight: 342.432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO3S/c1-12-6-9-24-17(12)10-16-18(22)13-4-5-15(21)14(19(13)23-16)11-20-7-2-3-8-20/h4-6,9-10,21H,2-3,7-8,11H2,1H3/p+1/b16-10-