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

Systemtic Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)-4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)-4-methyl-chromen-2-one CAS Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-3-(4-methoxyphenyl)-4-methyl-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)-4-methylchromen-2-one Traditional Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)-4-methyl-coumarin Formula: C24H29N2O5+ MolecularWeight: 425.49746

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O5/c1-16-19-7-8-21(28)20(15-26-11-9-25(10-12-26)13-14-27)23(19)31-24(29)22(16)17-3-5-18(30-2)6-4-17/h3-8,27-28H,9-15H2,1-2H3/p+1