4-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-1-iumyl]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-7-hydroxychromen-2-one Traditional Name: 4-[[4-(2,5-dimethoxybenzyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-coumarin Formula: C23H27N2O5+ MolecularWeight: 411.47088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C23H26N2O5/c1-28-19-4-6-21(29-2)17(11-19)15-25-9-7-24(8-10-25)14-16-12-23(27)30-22-13-18(26)3-5-20(16)22/h3-6,11-13,26H,7-10,14-15H2,1-2H3/p+1