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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCCCCC3)O)C4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCCCCC3)O)C4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C25H29NO5/c1-16-18-10-11-21(27)20(15-26-12-6-4-5-7-13-26)24(18)31-25(28)23(16)19-9-8-17(29-2)14-22(19)30-3/h8-11,14,27H,4-7,12-13,15H2,1-3H3/p+1