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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-pentyl-ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-pentyl-acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-pentylacetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-pentylacetamide Traditional Name: N-amyl-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C19H31N3O3+2 MolecularWeight: 349.46774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C[NH+]1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCCNC(=O)C[NH+]1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H29N3O3/c1-2-3-4-7-20-19(23)14-22-10-8-21(9-11-22)13-16-5-6-17-18(12-16)25-15-24-17/h5-6,12H,2-4,7-11,13-15H2,1H3,(H,20,23)/p+2