(2Z)-2-[(4-methylphenyl)methylidene]-3-oxidanylidene-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(4-methylphenyl)methylidene]-3-oxidanylidene-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-3-oxo-7-(piperidin-1-ium-1-ylmethyl)-2-(p-tolylmethylene)benzofuran-6-olate CAS Name: (2Z)-2-[(4-methylphenyl)methylidene]-3-oxo-7-(1-piperidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-2-[(4-methylphenyl)methylidene]-3-oxo-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-2-(4-methylbenzylidene)-7-(piperidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCCCC4

InChI

InChI=1S/C22H23NO3/c1-15-5-7-16(8-6-15)13-20-21(25)17-9-10-19(24)18(22(17)26-20)14-23-11-3-2-4-12-23/h5-10,13,24H,2-4,11-12,14H2,1H3/b20-13-