3-(3,4-dimethoxyphenyl)-7-[2-(4-phenylpiperazin-1-ium-1-yl)ethoxy]chromen-4-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-7-[2-(4-phenylpiperazin-1-ium-1-yl)ethoxy]chromen-4-one Openeye Name: 3-(3,4-dimethoxyphenyl)-7-[2-(4-phenylpiperazin-1-ium-1-yl)ethoxy]chromen-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-7-[2-(4-phenyl-1-piperazin-1-iumyl)ethoxy]-1-benzopyran-4-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-7-[2-(4-phenylpiperazin-1-ium-1-yl)ethoxy]chromen-4-one Traditional Name: 3-(3,4-dimethoxyphenyl)-7-[2-(4-phenylpiperazin-1-ium-1-yl)ethoxy]chromone Formula: C29H31N2O5+ MolecularWeight: 487.56684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OCC[NH+]4CCN(CC4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OCC[NH+]4CCN(CC4)C5=CC=CC=C5)OC

InChI

InChI=1S/C29H30N2O5/c1-33-26-11-8-21(18-28(26)34-2)25-20-36-27-19-23(9-10-24(27)29(25)32)35-17-16-30-12-14-31(15-13-30)22-6-4-3-5-7-22/h3-11,18-20H,12-17H2,1-2H3/p+1