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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N,N-diethyl-ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N,N-diethyl-acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N,N-diethylacetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N,N-diethylacetamide Traditional Name: N,N-diethyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3/c1-3-21(4-2)18(22)13-20-9-7-19(8-10-20)12-15-5-6-16-17(11-15)24-14-23-16/h5-6,11H,3-4,7-10,12-14H2,1-2H3/p+2