4-[[5-(2,5-dimethoxyphenyl)-2-oxidanyl-phenyl]methyl]piperazin-4-ium-1-carbaldehyde

Systemtic Name: 4-[[5-(2,5-dimethoxyphenyl)-2-oxidanyl-phenyl]methyl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[[5-(2,5-dimethoxyphenyl)-2-hydroxy-phenyl]methyl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[[5-(2,5-dimethoxyphenyl)-2-hydroxyphenyl]methyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[[5-(2,5-dimethoxyphenyl)-2-hydroxyphenyl]methyl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-[5-(2,5-dimethoxyphenyl)-2-hydroxy-benzyl]piperazin-4-ium-1-carbaldehyde Formula: C20H25N2O4+ MolecularWeight: 357.4235

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=CC(=C(C=C2)O)C[NH+]3CCN(CC3)C=O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=CC(=C(C=C2)O)C[NH+]3CCN(CC3)C=O

InChI

InChI=1S/C20H24N2O4/c1-25-17-4-6-20(26-2)18(12-17)15-3-5-19(24)16(11-15)13-21-7-9-22(14-23)10-8-21/h3-6,11-12,14,24H,7-10,13H2,1-2H3/p+1