6-ethyl-3-(1-methylbenzimidazol-2-yl)-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-chromen-7-olate

Systemtic Name: 6-ethyl-3-(1-methylbenzimidazol-2-yl)-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-chromen-7-olate Openeye Name: 6-ethyl-3-(1-methylbenzimidazol-2-yl)-8-(morpholin-4-ium-4-ylmethyl)-4-oxo-chromen-7-olate CAS Name: 6-ethyl-3-(1-methyl-2-benzimidazolyl)-8-(4-morpholin-4-iumylmethyl)-4-oxo-1-benzopyran-7-olate IUPAC Name: 6-ethyl-3-(1-methylbenzimidazol-2-yl)-8-(morpholin-4-ium-4-ylmethyl)-4-oxochromen-7-olate Traditional Name: 6-ethyl-4-keto-3-(1-methylbenzimidazol-2-yl)-8-(morpholin-4-ium-4-ylmethyl)chromen-7-olate Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3C)C[NH+]5CCOCC5)[O-]

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3C)C[NH+]5CCOCC5)[O-]

InChI

InChI=1S/C24H25N3O4/c1-3-15-12-16-22(29)18(24-25-19-6-4-5-7-20(19)26(24)2)14-31-23(16)17(21(15)28)13-27-8-10-30-11-9-27/h4-7,12,14,28H,3,8-11,13H2,1-2H3