(2,5-dimethoxyphenyl)-[4-[(4-methylpiperazin-4-ium-1-yl)methyl]-5-oxidanyl-1-benzofuran-3-yl]methanone

Systemtic Name: (2,5-dimethoxyphenyl)-[4-[(4-methylpiperazin-4-ium-1-yl)methyl]-5-oxidanyl-1-benzofuran-3-yl]methanone Openeye Name: (2,5-dimethoxyphenyl)-[5-hydroxy-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzofuran-3-yl]methanone CAS Name: (2,5-dimethoxyphenyl)-[5-hydroxy-4-[(4-methyl-1-piperazin-4-iumyl)methyl]-3-benzofuranyl]methanone IUPAC Name: (2,5-dimethoxyphenyl)-[5-hydroxy-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-1-benzofuran-3-yl]methanone Traditional Name: (2,5-dimethoxyphenyl)-[5-hydroxy-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzofuran-3-yl]methanone Formula: C23H27N2O5+ MolecularWeight: 411.47088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=C(C=CC3=C2C(=CO3)C(=O)C4=C(C=CC(=C4)OC)OC)O

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=C(C=CC3=C2C(=CO3)C(=O)C4=C(C=CC(=C4)OC)OC)O

InChI

InChI=1S/C23H26N2O5/c1-24-8-10-25(11-9-24)13-17-19(26)5-7-21-22(17)18(14-30-21)23(27)16-12-15(28-2)4-6-20(16)29-3/h4-7,12,14,26H,8-11,13H2,1-3H3/p+1