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

Systemtic Name: 3-(1H-benzimidazol-2-yl)-6-ethyl-8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-chromen-4-one Openeye Name: 3-(1H-benzimidazol-2-yl)-6-ethyl-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)chromen-4-one CAS Name: 3-(1H-benzimidazol-2-yl)-6-ethyl-7-hydroxy-8-(4-morpholin-4-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 3-(1H-benzimidazol-2-yl)-6-ethyl-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)chromen-4-one Traditional Name: 3-(1H-benzimidazol-2-yl)-6-ethyl-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)chromone Formula: C23H24N3O4+ MolecularWeight: 406.45436

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3)C[NH+]5CCOCC5)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3)C[NH+]5CCOCC5)O

InChI

InChI=1S/C23H23N3O4/c1-2-14-11-15-21(28)17(23-24-18-5-3-4-6-19(18)25-23)13-30-22(15)16(20(14)27)12-26-7-9-29-10-8-26/h3-6,11,13,27H,2,7-10,12H2,1H3,(H,24,25)/p+1