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

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2-ethoxyphenoxy)-2-methyl-7-oxidanyl-chromen-4-one Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2-ethoxyphenoxy)-7-hydroxy-2-methyl-chromen-4-one CAS Name: 8-(1-azepan-1-iumylmethyl)-3-(2-ethoxyphenoxy)-7-hydroxy-2-methyl-1-benzopyran-4-one IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2-ethoxyphenoxy)-7-hydroxy-2-methylchromen-4-one Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2-ethoxyphenoxy)-7-hydroxy-2-methyl-chromone Formula: C25H30NO5+ MolecularWeight: 424.5094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCCC4)O)C

Isomeric SMILES

CCOC1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCCCC4)O)C

InChI

InChI=1S/C25H29NO5/c1-3-29-21-10-6-7-11-22(21)31-24-17(2)30-25-18(23(24)28)12-13-20(27)19(25)16-26-14-8-4-5-9-15-26/h6-7,10-13,27H,3-5,8-9,14-16H2,1-2H3/p+1