7-[2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]ethoxy]-3-(4-methoxyphenyl)chromen-2-one

Systemtic Name: 7-[2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]ethoxy]-3-(4-methoxyphenyl)chromen-2-one Openeye Name: 7-[2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]ethoxy]-3-(4-methoxyphenyl)chromen-2-one CAS Name: 7-[2-[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]ethoxy]-3-(4-methoxyphenyl)-1-benzopyran-2-one IUPAC Name: 7-[2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]ethoxy]-3-(4-methoxyphenyl)chromen-2-one Traditional Name: 7-[2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]ethoxy]-3-(4-methoxyphenyl)coumarin Formula: C24H30N2O5+2 MolecularWeight: 426.5054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)OCC[NH+]4CC[NH+](CC4)CCO)OC2=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)OCC[NH+]4CC[NH+](CC4)CCO)OC2=O

InChI

InChI=1S/C24H28N2O5/c1-29-20-5-2-18(3-6-20)22-16-19-4-7-21(17-23(19)31-24(22)28)30-15-13-26-10-8-25(9-11-26)12-14-27/h2-7,16-17,27H,8-15H2,1H3/p+2