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

Systemtic Name: (2Z)-2-(1H-indol-3-ylmethylidene)-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-(1H-indol-3-ylmethylene)-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-(1H-indol-3-ylmethylidene)-7-[(4-methyl-1-piperidin-1-iumyl)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-(1H-indol-3-ylmethylidene)-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(1H-indol-3-ylmethylene)-3-keto-7-[(4-methylpiperidin-1-ium-1-yl)methyl]coumaran-6-olate Formula: C24H24N2O3 MolecularWeight: 388.45896

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CNC5=CC=CC=C54)C3=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CNC5=CC=CC=C54)/C3=O)[O-]

InChI

InChI=1S/C24H24N2O3/c1-15-8-10-26(11-9-15)14-19-21(27)7-6-18-23(28)22(29-24(18)19)12-16-13-25-20-5-3-2-4-17(16)20/h2-7,12-13,15,25,27H,8-11,14H2,1H3/b22-12-