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

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-3-(1H-benzimidazol-2-yl)-6-ethyl-7-oxidanyl-chromen-4-one Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-3-(1H-benzimidazol-2-yl)-6-ethyl-7-hydroxy-chromen-4-one CAS Name: 8-(1-azepan-1-iumylmethyl)-3-(1H-benzimidazol-2-yl)-6-ethyl-7-hydroxy-1-benzopyran-4-one IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-3-(1H-benzimidazol-2-yl)-6-ethyl-7-hydroxychromen-4-one Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-3-(1H-benzimidazol-2-yl)-6-ethyl-7-hydroxy-chromone Formula: C25H28N3O3+ MolecularWeight: 418.50812

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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+]5CCCCCC5)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3)C[NH+]5CCCCCC5)O

InChI

InChI=1S/C25H27N3O3/c1-2-16-13-17-23(30)19(25-26-20-9-5-6-10-21(20)27-25)15-31-24(17)18(22(16)29)14-28-11-7-3-4-8-12-28/h5-6,9-10,13,15,29H,2-4,7-8,11-12,14H2,1H3,(H,26,27)/p+1