(2Z)-2-[(4-methoxycarbonylphenyl)methylidene]-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(4-methoxycarbonylphenyl)methylidene]-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(4-methoxycarbonylphenyl)methylene]-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(4-methoxycarbonylphenyl)methylidene]-7-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(4-methoxycarbonylphenyl)methylidene]-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(4-carbomethoxybenzylidene)-3-keto-7-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]coumaran-6-olate Formula: C24H25NO5 MolecularWeight: 407.459

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=CC4=CC=C(C=C4)C(=O)OC)C3=O)[O-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(C=CC3=C2O/C(=C\C4=CC=C(C=C4)C(=O)OC)/C3=O)[O-]

InChI

InChI=1S/C24H25NO5/c1-15-4-3-11-25(13-15)14-19-20(26)10-9-18-22(27)21(30-23(18)19)12-16-5-7-17(8-6-16)24(28)29-2/h5-10,12,15,26H,3-4,11,13-14H2,1-2H3/b21-12-/t15-/m0/s1