3-(4-chlorophenyl)-7-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethoxy]-4-methyl-chromen-2-one

Systemtic Name: 3-(4-chlorophenyl)-7-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethoxy]-4-methyl-chromen-2-one Openeye Name: 3-(4-chlorophenyl)-7-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethoxy]-4-methyl-chromen-2-one CAS Name: 3-(4-chlorophenyl)-7-[2-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]ethoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 3-(4-chlorophenyl)-7-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethoxy]-4-methylchromen-2-one Traditional Name: 3-(4-chlorophenyl)-7-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethoxy]-4-methyl-coumarin Formula: C24H28ClN2O4+ MolecularWeight: 443.94312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC[NH+]3CCN(CC3)CCO)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC[NH+]3CCN(CC3)CCO)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H27ClN2O4/c1-17-21-7-6-20(30-15-13-27-10-8-26(9-11-27)12-14-28)16-22(21)31-24(29)23(17)18-2-4-19(25)5-3-18/h2-7,16,28H,8-15H2,1H3/p+1