2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2,6-diethylphenyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2,6-diethylphenyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2,6-diethylphenyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-(2,6-diethylphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2,6-diethylphenyl)acetamide Traditional Name: N-(2,6-diethylphenyl)-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C24H33N3O3+2 MolecularWeight: 411.53712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H31N3O3/c1-3-19-6-5-7-20(4-2)24(19)25-23(28)16-27-12-10-26(11-13-27)15-18-8-9-21-22(14-18)30-17-29-21/h5-9,14H,3-4,10-13,15-17H2,1-2H3,(H,25,28)/p+2