1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone

Systemtic Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone Openeye Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(6,7-dimethylbenzofuran-3-yl)ethanone CAS Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-(6,7-dimethyl-3-benzofuranyl)ethanone IUPAC Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone Traditional Name: 2-(6,7-dimethylbenzofuran-3-yl)-1-(4-veratrylpiperazin-4-ium-1-yl)ethanone Formula: C25H31N2O4+ MolecularWeight: 423.52464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)N3CC[NH+](CC3)CC4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)N3CC[NH+](CC3)CC4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C25H30N2O4/c1-17-5-7-21-20(16-31-25(21)18(17)2)14-24(28)27-11-9-26(10-12-27)15-19-6-8-22(29-3)23(13-19)30-4/h5-8,13,16H,9-12,14-15H2,1-4H3/p+1