3-(4-chlorophenyl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 3-(4-chlorophenyl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 3-(4-chlorophenyl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-chromen-2-one CAS Name: 3-(4-chlorophenyl)-7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-4-methyl-1-benzopyran-2-one IUPAC Name: 3-(4-chlorophenyl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methylchromen-2-one Traditional Name: 3-(4-chlorophenyl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-coumarin Formula: C23H26ClN2O4+ MolecularWeight: 429.91654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCN(CC3)CCO)O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCN(CC3)CCO)O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H25ClN2O4/c1-15-18-6-7-20(28)19(14-26-10-8-25(9-11-26)12-13-27)22(18)30-23(29)21(15)16-2-4-17(24)5-3-16/h2-7,27-28H,8-14H2,1H3/p+1