3-(1H-benzimidazol-2-yl)-8-[(diethylazaniumyl)methyl]-6-ethyl-4-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(1H-benzimidazol-2-yl)-8-[(diethylazaniumyl)methyl]-6-ethyl-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(1H-benzimidazol-2-yl)-8-[(diethylammonio)methyl]-6-ethyl-4-oxo-chromen-7-olate CAS Name: 3-(1H-benzimidazol-2-yl)-8-[(diethylammonio)methyl]-6-ethyl-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(1H-benzimidazol-2-yl)-8-[(diethylazaniumyl)methyl]-6-ethyl-4-oxochromen-7-olate Traditional Name: 3-(1H-benzimidazol-2-yl)-8-[(diethylammonio)methyl]-6-ethyl-4-keto-chromen-7-olate Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3)C[NH+](CC)CC)[O-]

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3)C[NH+](CC)CC)[O-]

InChI

InChI=1S/C23H25N3O3/c1-4-14-11-15-21(28)17(23-24-18-9-7-8-10-19(18)25-23)13-29-22(15)16(20(14)27)12-26(5-2)6-3/h7-11,13,27H,4-6,12H2,1-3H3,(H,24,25)