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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCCCC3)OC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCCCC3)OC4=CC(=CC=C4)OC

InChI

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