2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-(4-piperonylpiperazine-1,4-diium-1-yl)-1-pyrrolidino-ethanone Formula: C18H27N3O3+2 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H25N3O3/c22-18(21-5-1-2-6-21)13-20-9-7-19(8-10-20)12-15-3-4-16-17(11-15)24-14-23-16/h3-4,11H,1-2,5-10,12-14H2/p+2