7-methoxy-3-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenoxy]chromen-4-one

Systemtic Name: 7-methoxy-3-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenoxy]chromen-4-one Openeye Name: 7-methoxy-3-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenoxy]chromen-4-one CAS Name: 7-methoxy-3-[4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenoxy]-1-benzopyran-4-one IUPAC Name: 7-methoxy-3-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenoxy]chromen-4-one Traditional Name: 7-methoxy-3-[4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenoxy]chromone Formula: C26H24N3O5+ MolecularWeight: 458.48586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C26H23N3O5/c1-32-20-9-10-21-22(16-20)33-17-23(25(21)30)34-19-7-5-18(6-8-19)26(31)29-14-12-28(13-15-29)24-4-2-3-11-27-24/h2-11,16-17H,12-15H2,1H3/p+1