3-(4-methoxyphenyl)-7-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]chromen-4-one

Systemtic Name: 3-(4-methoxyphenyl)-7-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]chromen-4-one Openeye Name: 3-(4-methoxyphenyl)-7-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]chromen-4-one CAS Name: 3-(4-methoxyphenyl)-7-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethoxy]-1-benzopyran-4-one IUPAC Name: 3-(4-methoxyphenyl)-7-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]chromen-4-one Traditional Name: 7-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethoxy]-3-(4-methoxyphenyl)chromone Formula: C27H26N3O5+ MolecularWeight: 472.51244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C27H25N3O5/c1-33-20-7-5-19(6-8-20)23-17-35-24-16-21(9-10-22(24)27(23)32)34-18-26(31)30-14-12-29(13-15-30)25-4-2-3-11-28-25/h2-11,16-17H,12-15,18H2,1H3/p+1