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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 1-morpholino-2-(4-piperonylpiperazine-1,4-diium-1-yl)ethanone Formula: C18H27N3O4+2 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(=O)N4CCOCC4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(=O)N4CCOCC4

InChI

InChI=1S/C18H25N3O4/c22-18(21-7-9-23-10-8-21)13-20-5-3-19(4-6-20)12-15-1-2-16-17(11-15)25-14-24-16/h1-2,11H,3-10,12-14H2/p+2