(3R)-3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: (3R)-3-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]piperazin-4-ium-2-one Formula: C18H26N4O4+2 MolecularWeight: 362.42344

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C([NH2+]1)CC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CNC(=O)[C@H]([NH2+]1)CC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H24N4O4/c23-17(10-14-18(24)20-4-3-19-14)22-7-5-21(6-8-22)11-13-1-2-15-16(9-13)26-12-25-15/h1-2,9,14,19H,3-8,10-12H2,(H,20,24)/p+2/t14-/m1/s1