3-(1H-benzimidazol-2-yl)-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(1H-benzimidazol-2-yl)-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 3-(1H-benzimidazol-2-yl)-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-oxo-chromen-7-olate CAS Name: 3-(1H-benzimidazol-2-yl)-8-[(2-ethyl-1-piperidin-1-iumyl)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 3-(1H-benzimidazol-2-yl)-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-oxochromen-7-olate Traditional Name: 3-(1H-benzimidazol-2-yl)-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-2-keto-chromen-7-olate Formula: C24H25N3O3 MolecularWeight: 403.4736

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=O)C(=C3)C4=NC5=CC=CC=C5N4)[O-]

Isomeric SMILES

CCC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=O)C(=C3)C4=NC5=CC=CC=C5N4)[O-]

InChI

InChI=1S/C24H25N3O3/c1-2-16-7-5-6-12-27(16)14-18-21(28)11-10-15-13-17(24(29)30-22(15)18)23-25-19-8-3-4-9-20(19)26-23/h3-4,8-11,13,16,28H,2,5-7,12,14H2,1H3,(H,25,26)