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

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2-methoxyphenyl)-7-oxidanyl-chromen-4-one Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-7-hydroxy-3-(2-methoxyphenyl)chromen-4-one CAS Name: 8-(1-azepan-1-iumylmethyl)-7-hydroxy-3-(2-methoxyphenyl)-1-benzopyran-4-one IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-7-hydroxy-3-(2-methoxyphenyl)chromen-4-one Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-7-hydroxy-3-(2-methoxyphenyl)chromone Formula: C23H26NO4+ MolecularWeight: 380.45684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCCCC4)O

Isomeric SMILES

COC1=CC=CC=C1C2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCCCC4)O

InChI

InChI=1S/C23H25NO4/c1-27-21-9-5-4-8-16(21)19-15-28-23-17(22(19)26)10-11-20(25)18(23)14-24-12-6-2-3-7-13-24/h4-5,8-11,15,25H,2-3,6-7,12-14H2,1H3/p+1