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

Systemtic Name: 3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-8-(morpholin-4-ylmethyl)-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-8-(morpholinomethyl)chromen-2-one CAS Name: 7-hydroxy-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-8-(4-morpholinylmethyl)-1-benzopyran-2-one IUPAC Name: 7-hydroxy-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-8-(morpholin-4-ylmethyl)chromen-2-one Traditional Name: 7-hydroxy-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-8-(morpholinomethyl)coumarin Formula: C22H22N3O4+ MolecularWeight: 392.42778

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)C3=CC4=C(C(=C(C=C4)O)CN5CCOCC5)OC3=O

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)C3=CC4=C(C(=C(C=C4)O)CN5CCOCC5)OC3=O

InChI

InChI=1S/C22H21N3O4/c1-24-18-5-3-2-4-17(18)23-21(24)15-12-14-6-7-19(26)16(20(14)29-22(15)27)13-25-8-10-28-11-9-25/h2-7,12H,8-11,13H2,1H3,(H,23,26,27)/p+1