2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-cyclopentyl-ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-cyclopentyl-ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-cyclopentyl-acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-cyclopentylacetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-cyclopentylacetamide Traditional Name: N-cyclopentyl-2-(4-piperonylpiperazin-1-ium-1-yl)acetamide Formula: C19H28N3O3+ MolecularWeight: 346.44392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H27N3O3/c23-19(20-16-3-1-2-4-16)13-22-9-7-21(8-10-22)12-15-5-6-17-18(11-15)25-14-24-17/h5-6,11,16H,1-4,7-10,12-14H2,(H,20,23)/p+1