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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-morpholin-4-ium-4-yl-ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-morpholin-4-ium-4-yl-ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-(4-morpholin-4-iumyl)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-morpholin-4-ium-4-ylethanone Traditional Name: 2-morpholin-4-ium-4-yl-1-(4-piperonylpiperazin-4-ium-1-yl)ethanone Formula: C18H27N3O4+2 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C[NH+]4CCOCC4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C[NH+]4CCOCC4

InChI

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