3-(1H-benzimidazol-2-yl)-8-(morpholin-4-ium-4-ylmethyl)-2-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(1H-benzimidazol-2-yl)-8-(morpholin-4-ium-4-ylmethyl)-2-oxidanylidene-chromen-7-olate Openeye Name: 3-(1H-benzimidazol-2-yl)-8-(morpholin-4-ium-4-ylmethyl)-2-oxo-chromen-7-olate CAS Name: 3-(1H-benzimidazol-2-yl)-8-(4-morpholin-4-iumylmethyl)-2-oxo-1-benzopyran-7-olate IUPAC Name: 3-(1H-benzimidazol-2-yl)-8-(morpholin-4-ium-4-ylmethyl)-2-oxochromen-7-olate Traditional Name: 3-(1H-benzimidazol-2-yl)-2-keto-8-(morpholin-4-ium-4-ylmethyl)chromen-7-olate Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=C(C=CC3=C2OC(=O)C(=C3)C4=NC5=CC=CC=C5N4)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=C(C=CC3=C2OC(=O)C(=C3)C4=NC5=CC=CC=C5N4)[O-]

InChI

InChI=1S/C21H19N3O4/c25-18-6-5-13-11-14(20-22-16-3-1-2-4-17(16)23-20)21(26)28-19(13)15(18)12-24-7-9-27-10-8-24/h1-6,11,25H,7-10,12H2,(H,22,23)