8-(azepan-1-ium-1-ylmethyl)-3-(3,5-dimethylphenoxy)-7-oxidanyl-chromen-4-one

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-3-(3,5-dimethylphenoxy)-7-oxidanyl-chromen-4-one Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-3-(3,5-dimethylphenoxy)-7-hydroxy-chromen-4-one CAS Name: 8-(1-azepan-1-iumylmethyl)-3-(3,5-dimethylphenoxy)-7-hydroxy-1-benzopyran-4-one IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-3-(3,5-dimethylphenoxy)-7-hydroxychromen-4-one Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-3-(3,5-dimethylphenoxy)-7-hydroxy-chromone Formula: C24H28NO4+ MolecularWeight: 394.48342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCCCC4)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCCCCC4)O)C

InChI

InChI=1S/C24H27NO4/c1-16-11-17(2)13-18(12-16)29-22-15-28-24-19(23(22)27)7-8-21(26)20(24)14-25-9-5-3-4-6-10-25/h7-8,11-13,15,26H,3-6,9-10,14H2,1-2H3/p+1