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

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

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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)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)OC5=CC=CC=C5

InChI

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