8-(azepan-1-ium-1-ylmethyl)-3-(2,5-dimethoxyphenyl)-7-oxidanyl-chromen-2-one

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2,5-dimethoxyphenyl)-7-oxidanyl-chromen-2-one Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2,5-dimethoxyphenyl)-7-hydroxy-chromen-2-one CAS Name: 8-(1-azepan-1-iumylmethyl)-3-(2,5-dimethoxyphenyl)-7-hydroxy-1-benzopyran-2-one IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2,5-dimethoxyphenyl)-7-hydroxychromen-2-one Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2,5-dimethoxyphenyl)-7-hydroxy-coumarin Formula: C24H28NO5+ MolecularWeight: 410.48282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=CC3=C(C(=C(C=C3)O)C[NH+]4CCCCCC4)OC2=O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=CC3=C(C(=C(C=C3)O)C[NH+]4CCCCCC4)OC2=O

InChI

InChI=1S/C24H27NO5/c1-28-17-8-10-22(29-2)18(14-17)19-13-16-7-9-21(26)20(23(16)30-24(19)27)15-25-11-5-3-4-6-12-25/h7-10,13-14,26H,3-6,11-12,15H2,1-2H3/p+1