7-methoxy-3-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenoxy]chromen-4-one

Systemtic Name: 7-methoxy-3-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenoxy]chromen-4-one Openeye Name: 3-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenoxy]-7-methoxy-chromen-4-one CAS Name: 7-methoxy-3-[4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenoxy]-1-benzopyran-4-one IUPAC Name: 3-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenoxy]-7-methoxychromen-4-one Traditional Name: 3-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenoxy]-7-methoxy-chromone Formula: C28H27N2O5+ MolecularWeight: 471.52438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H26N2O5/c1-33-23-11-12-24-25(17-23)34-19-26(27(24)31)35-22-9-7-21(8-10-22)28(32)30-15-13-29(14-16-30)18-20-5-3-2-4-6-20/h2-12,17,19H,13-16,18H2,1H3/p+1