1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone Traditional Name: 2-(2,2-dimethylcoumaran-7-yl)oxy-1-(4-piperonylpiperazin-4-ium-1-yl)ethanone Formula: C24H29N2O5+ MolecularWeight: 425.49746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C24H28N2O5/c1-24(2)13-18-4-3-5-20(23(18)31-24)28-15-22(27)26-10-8-25(9-11-26)14-17-6-7-19-21(12-17)30-16-29-19/h3-7,12H,8-11,13-16H2,1-2H3/p+1