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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-methylpropyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-isobutyl-acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-(2-methylpropyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-methylpropyl)acetamide Traditional Name: N-isobutyl-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C18H29N3O3+2 MolecularWeight: 335.44116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3/c1-14(2)10-19-18(22)12-21-7-5-20(6-8-21)11-15-3-4-16-17(9-15)24-13-23-16/h3-4,9,14H,5-8,10-13H2,1-2H3,(H,19,22)/p+2