2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-indan-5-yl-acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide Traditional Name: N-indan-5-yl-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C23H29N3O3+2 MolecularWeight: 395.49466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H27N3O3/c27-23(24-20-6-5-18-2-1-3-19(18)13-20)15-26-10-8-25(9-11-26)14-17-4-7-21-22(12-17)29-16-28-21/h4-7,12-13H,1-3,8-11,14-16H2,(H,24,27)/p+2