8-(azepan-1-ium-1-ylmethyl)-3-(2-methoxyphenyl)-4-oxidanylidene-chromen-7-olate

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2-methoxyphenyl)-4-oxidanylidene-chromen-7-olate Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2-methoxyphenyl)-4-oxo-chromen-7-olate CAS Name: 8-(1-azepan-1-iumylmethyl)-3-(2-methoxyphenyl)-4-oxo-1-benzopyran-7-olate IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-3-(2-methoxyphenyl)-4-oxochromen-7-olate Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-4-keto-3-(2-methoxyphenyl)chromen-7-olate Formula: C23H25NO4 MolecularWeight: 379.4489

Click to see the large picture

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