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

Systemtic Name: 8-[(diethylazaniumyl)methyl]-6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxidanylidene-chromen-7-olate Openeye Name: 8-[(diethylammonio)methyl]-6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxo-chromen-7-olate CAS Name: 8-[(diethylammonio)methyl]-6-ethyl-2-methyl-3-(1-methyl-2-benzimidazolyl)-4-oxo-1-benzopyran-7-olate IUPAC Name: 8-[(diethylazaniumyl)methyl]-6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-olate Traditional Name: 8-[(diethylammonio)methyl]-6-ethyl-4-keto-2-methyl-3-(1-methylbenzimidazol-2-yl)chromen-7-olate Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4N3C)C[NH+](CC)CC)[O-]

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4N3C)C[NH+](CC)CC)[O-]

InChI

InChI=1S/C25H29N3O3/c1-6-16-13-17-23(30)21(25-26-19-11-9-10-12-20(19)27(25)5)15(4)31-24(17)18(22(16)29)14-28(7-2)8-3/h9-13,29H,6-8,14H2,1-5H3