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

Systemtic Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)chromen-2-one CAS Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-3-(4-methoxyphenyl)-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)chromen-2-one Traditional Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)coumarin Formula: C23H27N2O5+ MolecularWeight: 411.47088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O5/c1-29-18-5-2-16(3-6-18)19-14-17-4-7-21(27)20(22(17)30-23(19)28)15-25-10-8-24(9-11-25)12-13-26/h2-7,14,26-27H,8-13,15H2,1H3/p+1