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

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-3-(4-methoxyphenoxy)-7-oxidanyl-chromen-4-one Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-7-hydroxy-3-(4-methoxyphenoxy)chromen-4-one CAS Name: 8-(1-azepan-1-iumylmethyl)-7-hydroxy-3-(4-methoxyphenoxy)-1-benzopyran-4-one IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-7-hydroxy-3-(4-methoxyphenoxy)chromen-4-one Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-7-hydroxy-3-(4-methoxyphenoxy)chromone Formula: C23H26NO5+ MolecularWeight: 396.45624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCCCC4)O

Isomeric SMILES

COC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCCCC4)O

InChI

InChI=1S/C23H25NO5/c1-27-16-6-8-17(9-7-16)29-21-15-28-23-18(22(21)26)10-11-20(25)19(23)14-24-12-4-2-3-5-13-24/h6-11,15,25H,2-5,12-14H2,1H3/p+1