8-(azepan-1-ium-1-ylmethyl)-3-(2-ethoxyphenoxy)-7-oxidanyl-chromen-4-one

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2-ethoxyphenoxy)-7-oxidanyl-chromen-4-one Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2-ethoxyphenoxy)-7-hydroxy-chromen-4-one CAS Name: 8-(1-azepan-1-iumylmethyl)-3-(2-ethoxyphenoxy)-7-hydroxy-1-benzopyran-4-one IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2-ethoxyphenoxy)-7-hydroxychromen-4-one Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2-ethoxyphenoxy)-7-hydroxy-chromone Formula: C24H28NO5+ MolecularWeight: 410.48282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCCCC4)O

Isomeric SMILES

CCOC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCCCC4)O

InChI

InChI=1S/C24H27NO5/c1-2-28-20-9-5-6-10-21(20)30-22-16-29-24-17(23(22)27)11-12-19(26)18(24)15-25-13-7-3-4-8-14-25/h5-6,9-12,16,26H,2-4,7-8,13-15H2,1H3/p+1