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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-prop-2-enylacetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C17H25N3O3+2 MolecularWeight: 319.3987

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3/c1-2-5-18-17(21)12-20-8-6-19(7-9-20)11-14-3-4-15-16(10-14)23-13-22-15/h2-4,10H,1,5-9,11-13H2,(H,18,21)/p+2