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

Systemtic Name: 3-(1H-benzimidazol-3-ium-2-yl)-8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-chromen-2-one Openeye Name: 3-(1H-benzimidazol-3-ium-2-yl)-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)chromen-2-one CAS Name: 3-(1H-benzimidazol-3-ium-2-yl)-7-hydroxy-8-(4-morpholin-4-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 3-(1H-benzimidazol-3-ium-2-yl)-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)chromen-2-one Traditional Name: 3-(1H-benzimidazol-3-ium-2-yl)-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)coumarin Formula: C21H21N3O4+2 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=C(C=CC3=C2OC(=O)C(=C3)C4=[NH+]C5=CC=CC=C5N4)O

Isomeric SMILES

C1COCC[NH+]1CC2=C(C=CC3=C2OC(=O)C(=C3)C4=[NH+]C5=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)/p+2