N-[3-(4-methoxyphenyl)-4-oxidanylidene-chromen-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[3-(4-methoxyphenyl)-4-oxidanylidene-chromen-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[3-(4-methoxyphenyl)-4-oxo-chromen-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[3-(4-methoxyphenyl)-4-oxo-1-benzopyran-2-yl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[4-keto-3-(4-methoxyphenyl)chromen-2-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C28H28N3O4+ MolecularWeight: 470.53962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(OC3=CC=CC=C3C2=O)NC(=O)C[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(OC3=CC=CC=C3C2=O)NC(=O)C[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H27N3O4/c1-34-22-13-11-20(12-14-22)26-27(33)23-9-5-6-10-24(23)35-28(26)29-25(32)19-30-15-17-31(18-16-30)21-7-3-2-4-8-21/h2-14H,15-19H2,1H3,(H,29,32)/p+1