3-(2-ethoxyphenoxy)-2-methyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-chromen-4-one

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3CN4CC[NH+](CC4)C)O)C

Isomeric SMILES

CCOC1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3CN4CC[NH+](CC4)C)O)C

InChI

InChI=1S/C24H28N2O5/c1-4-29-20-7-5-6-8-21(20)31-23-16(2)30-24-17(22(23)28)9-10-19(27)18(24)15-26-13-11-25(3)12-14-26/h5-10,27H,4,11-15H2,1-3H3/p+1