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

Systemtic Name: 3-(1H-benzimidazol-2-yl)-8-[(diethylazaniumyl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 3-(1H-benzimidazol-2-yl)-8-[(diethylammonio)methyl]-2-oxo-chromen-7-olate CAS Name: 3-(1H-benzimidazol-2-yl)-8-[(diethylammonio)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 3-(1H-benzimidazol-2-yl)-8-[(diethylazaniumyl)methyl]-2-oxochromen-7-olate Traditional Name: 3-(1H-benzimidazol-2-yl)-8-[(diethylammonio)methyl]-2-keto-chromen-7-olate Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC2=C1OC(=O)C(=C2)C3=NC4=CC=CC=C4N3)[O-]

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC2=C1OC(=O)C(=C2)C3=NC4=CC=CC=C4N3)[O-]

InChI

InChI=1S/C21H21N3O3/c1-3-24(4-2)12-15-18(25)10-9-13-11-14(21(26)27-19(13)15)20-22-16-7-5-6-8-17(16)23-20/h5-11,25H,3-4,12H2,1-2H3,(H,22,23)