3-(1-methylbenzimidazol-2-yl)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(1-methylbenzimidazol-2-yl)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 3-(1-methylbenzimidazol-2-yl)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-oxo-chromen-7-olate CAS Name: 3-(1-methyl-2-benzimidazolyl)-8-[(4-methyl-1-piperidin-1-iumyl)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 3-(1-methylbenzimidazol-2-yl)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-oxochromen-7-olate Traditional Name: 2-keto-3-(1-methylbenzimidazol-2-yl)-8-[(4-methylpiperidin-1-ium-1-yl)methyl]chromen-7-olate Formula: C24H25N3O3 MolecularWeight: 403.4736

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=NC5=CC=CC=C5N4C)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=NC5=CC=CC=C5N4C)[O-]

InChI

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