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

Systemtic Name: 6-ethyl-2-methyl-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-8-(morpholin-4-ylmethyl)-7-oxidanyl-chromen-4-one Openeye Name: 6-ethyl-7-hydroxy-2-methyl-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-8-(morpholinomethyl)chromen-4-one CAS Name: 6-ethyl-7-hydroxy-2-methyl-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-8-(4-morpholinylmethyl)-1-benzopyran-4-one IUPAC Name: 6-ethyl-7-hydroxy-2-methyl-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-8-(morpholin-4-ylmethyl)chromen-4-one Traditional Name: 6-ethyl-7-hydroxy-2-methyl-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-8-(morpholinomethyl)chromone Formula: C25H28N3O4+ MolecularWeight: 434.50752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=[N+](C4=CC=CC=C4N3)C)CN5CCOCC5)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=[N+](C4=CC=CC=C4N3)C)CN5CCOCC5)O

InChI

InChI=1S/C25H27N3O4/c1-4-16-13-17-23(30)21(25-26-19-7-5-6-8-20(19)27(25)3)15(2)32-24(17)18(22(16)29)14-28-9-11-31-12-10-28/h5-8,13H,4,9-12,14H2,1-3H3,(H,29,30)/p+1