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

Systemtic Name: 3-(1H-benzimidazol-3-ium-2-yl)-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 3-(1H-benzimidazol-3-ium-2-yl)-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-7-hydroxy-chromen-2-one CAS Name: 3-(1H-benzimidazol-3-ium-2-yl)-8-[(2-ethyl-1-piperidin-1-iumyl)methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 3-(1H-benzimidazol-3-ium-2-yl)-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-7-hydroxychromen-2-one Traditional Name: 3-(1H-benzimidazol-3-ium-2-yl)-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-7-hydroxy-coumarin Formula: C24H27N3O3+2 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=O)C(=C3)C4=[NH+]C5=CC=CC=C5N4)O

Isomeric SMILES

CCC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=O)C(=C3)C4=[NH+]C5=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)/p+2