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

Systemtic Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(3-methoxyphenoxy)-2-methyl-7-oxidanyl-chromen-4-one Openeye Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(3-methoxyphenoxy)-2-methyl-chromen-4-one CAS Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-3-(3-methoxyphenoxy)-2-methyl-1-benzopyran-4-one IUPAC Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(3-methoxyphenoxy)-2-methylchromen-4-one Traditional Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(3-methoxyphenoxy)-2-methyl-chromone Formula: C24H29N2O6+ MolecularWeight: 441.49686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCN(CC3)CCO)OC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCN(CC3)CCO)OC4=CC(=CC=C4)OC

InChI

InChI=1S/C24H28N2O6/c1-16-23(32-18-5-3-4-17(14-18)30-2)22(29)19-6-7-21(28)20(24(19)31-16)15-26-10-8-25(9-11-26)12-13-27/h3-7,14,27-28H,8-13,15H2,1-2H3/p+1