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

Systemtic Name: 3-(4-methoxyphenyl)-2-methyl-7-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]chromen-4-one Openeye Name: 3-(4-methoxyphenyl)-2-methyl-7-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]chromen-4-one CAS Name: 3-(4-methoxyphenyl)-2-methyl-7-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethoxy]-1-benzopyran-4-one IUPAC Name: 3-(4-methoxyphenyl)-2-methyl-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)-2-methyl-chromone Formula: C28H28N3O5+ MolecularWeight: 486.53902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C28H27N3O5/c1-19-27(20-6-8-21(34-2)9-7-20)28(33)23-11-10-22(17-24(23)36-19)35-18-26(32)31-15-13-30(14-16-31)25-5-3-4-12-29-25/h3-12,17H,13-16,18H2,1-2H3/p+1