(2Z)-7-[(dimethylazaniumyl)methyl]-4-methyl-3-oxidanylidene-2-(phenylmethylidene)-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-[(dimethylazaniumyl)methyl]-4-methyl-3-oxidanylidene-2-(phenylmethylidene)-1-benzofuran-6-olate Openeye Name: (2Z)-2-benzylidene-7-[(dimethylammonio)methyl]-4-methyl-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(dimethylammonio)methyl]-4-methyl-3-oxo-2-(phenylmethylene)-6-benzofuranolate IUPAC Name: (2Z)-2-benzylidene-7-[(dimethylazaniumyl)methyl]-4-methyl-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-benzal-7-[(dimethylammonio)methyl]-3-keto-4-methyl-coumaran-6-olate Formula: C19H19NO3 MolecularWeight: 309.35906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO3/c1-12-9-15(21)14(11-20(2)3)19-17(12)18(22)16(23-19)10-13-7-5-4-6-8-13/h4-10,21H,11H2,1-3H3/b16-10-