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

Systemtic Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-4-methyl-7-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-(benzofuran-2-ylmethylene)-4-methyl-7-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-(2-benzofuranylmethylidene)-4-methyl-7-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-4-methyl-7-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(benzofuran-2-ylmethylene)-3-keto-4-methyl-7-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]coumaran-6-olate Formula: C25H25NO4 MolecularWeight: 403.4703

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=C(C3=C2OC(=CC4=CC5=CC=CC=C5O4)C3=O)C)[O-]

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=C(C=C(C3=C2O/C(=C\C4=CC5=CC=CC=C5O4)/C3=O)C)[O-]

InChI

InChI=1S/C25H25NO4/c1-15-11-20(27)19(14-26-10-6-5-7-16(26)2)25-23(15)24(28)22(30-25)13-18-12-17-8-3-4-9-21(17)29-18/h3-4,8-9,11-13,16,27H,5-7,10,14H2,1-2H3/b22-13-/t16-/m0/s1