1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(2,3,5-trimethylphenoxy)ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(2,3,5-trimethylphenoxy)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(2,3,5-trimethylphenoxy)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-(2,3,5-trimethylphenoxy)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(2,3,5-trimethylphenoxy)ethanone Traditional Name: 1-(4-piperonylpiperazin-4-ium-1-yl)-2-(2,3,5-trimethylphenoxy)ethanone Formula: C23H29N2O4+ MolecularWeight: 397.48736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C)C

InChI

InChI=1S/C23H28N2O4/c1-16-10-17(2)18(3)21(11-16)27-14-23(26)25-8-6-24(7-9-25)13-19-4-5-20-22(12-19)29-15-28-20/h4-5,10-12H,6-9,13-15H2,1-3H3/p+1