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

Systemtic Name: 3-(1H-benzimidazol-2-yl)-8-[(dimethylazaniumyl)methyl]-6-ethyl-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(1H-benzimidazol-2-yl)-8-[(dimethylammonio)methyl]-6-ethyl-4-oxo-chromen-7-olate CAS Name: 3-(1H-benzimidazol-2-yl)-8-[(dimethylammonio)methyl]-6-ethyl-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(1H-benzimidazol-2-yl)-8-[(dimethylazaniumyl)methyl]-6-ethyl-4-oxochromen-7-olate Traditional Name: 3-(1H-benzimidazol-2-yl)-8-[(dimethylammonio)methyl]-6-ethyl-4-keto-chromen-7-olate Formula: C21H21N3O3 MolecularWeight: 363.40974

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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+](C)C)[O-]

Isomeric SMILES

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

InChI

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