4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-6-ethyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]coumarin Formula: C24H28N2O5+2 MolecularWeight: 424.48952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C24H26N2O5/c1-2-17-10-19-18(11-24(28)31-22(19)12-20(17)27)14-26-7-5-25(6-8-26)13-16-3-4-21-23(9-16)30-15-29-21/h3-4,9-12,27H,2,5-8,13-15H2,1H3/p+2