(2Z)-4-methyl-3-oxidanylidene-2-(phenylmethylidene)-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate

Systemtic Name: (2Z)-4-methyl-3-oxidanylidene-2-(phenylmethylidene)-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-2-benzylidene-4-methyl-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-4-methyl-3-oxo-2-(phenylmethylene)-7-(1-pyrrolidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-2-benzylidene-4-methyl-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-2-benzal-3-keto-4-methyl-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CC=CC=C3)O2)C[NH+]4CCCC4)[O-]

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC=CC=C3)/O2)C[NH+]4CCCC4)[O-]

InChI

InChI=1S/C21H21NO3/c1-14-11-17(23)16(13-22-9-5-6-10-22)21-19(14)20(24)18(25-21)12-15-7-3-2-4-8-15/h2-4,7-8,11-12,23H,5-6,9-10,13H2,1H3/b18-12-