3-(2,5-dimethoxyphenyl)-8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 3-(2,5-dimethoxyphenyl)-8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 3-(2,5-dimethoxyphenyl)-8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-hydroxy-chromen-2-one CAS Name: 3-(2,5-dimethoxyphenyl)-8-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 3-(2,5-dimethoxyphenyl)-8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-hydroxychromen-2-one Traditional Name: 3-(2,5-dimethoxyphenyl)-8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-hydroxy-coumarin Formula: C24H30N2O5+2 MolecularWeight: 426.5054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=C(C=CC(=C4)OC)OC)O

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=C(C=CC(=C4)OC)OC)O

InChI

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