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

Systemtic Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-(benzofuran-2-ylmethylene)-7-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-(2-benzofuranylmethylidene)-7-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(benzofuran-2-ylmethylene)-3-keto-7-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]coumaran-6-olate Formula: C24H23NO4 MolecularWeight: 389.44372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=CC4=CC5=CC=CC=C5O4)C3=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=C(C=CC3=C2O/C(=C\C4=CC5=CC=CC=C5O4)/C3=O)[O-]

InChI

InChI=1S/C24H23NO4/c1-15-6-4-5-11-25(15)14-19-20(26)10-9-18-23(27)22(29-24(18)19)13-17-12-16-7-2-3-8-21(16)28-17/h2-3,7-10,12-13,15,26H,4-6,11,14H2,1H3/b22-13-/t15-/m0/s1