1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone

Systemtic Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone Openeye Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(6-methylbenzofuran-3-yl)ethanone CAS Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-(6-methyl-3-benzofuranyl)ethanone IUPAC Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone Traditional Name: 1-[4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-yl]-2-(6-methylbenzofuran-3-yl)ethanone Formula: C24H29N2O4+ MolecularWeight: 409.49806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CC[NH+](CC3)CC4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CO2)CC(=O)N3CC[NH+](CC3)CC4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C24H28N2O4/c1-17-4-6-21-19(16-30-23(21)12-17)14-24(27)26-10-8-25(9-11-26)15-18-13-20(28-2)5-7-22(18)29-3/h4-7,12-13,16H,8-11,14-15H2,1-3H3/p+1