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

Systemtic Name: 3-(4-methoxyphenyl)-7-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethoxy]chromen-4-one Openeye Name: 7-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]-3-(4-methoxyphenyl)chromen-4-one CAS Name: 3-(4-methoxyphenyl)-7-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethoxy]-1-benzopyran-4-one IUPAC Name: 7-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethoxy]-3-(4-methoxyphenyl)chromen-4-one Traditional Name: 7-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethoxy]-3-(4-methoxyphenyl)chromone Formula: C29H29N2O5+ MolecularWeight: 485.55096

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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)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OCC(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H28N2O5/c1-34-23-9-7-22(8-10-23)26-19-36-27-17-24(11-12-25(27)29(26)33)35-20-28(32)31-15-13-30(14-16-31)18-21-5-3-2-4-6-21/h2-12,17,19H,13-16,18,20H2,1H3/p+1