(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-ethyl-pyrrolidine-2,5-dione

Systemtic Name: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-ethyl-pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-ethyl-pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-1-ethylpyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-ethylpyrrolidine-2,5-dione Traditional Name: (3S)-1-ethyl-3-(4-piperonylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-quinone Formula: C18H25N3O4+2 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)CC(C1=O)[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C(=O)C[C@@H](C1=O)[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H23N3O4/c1-2-21-17(22)10-14(18(21)23)20-7-5-19(6-8-20)11-13-3-4-15-16(9-13)25-12-24-15/h3-4,9,14H,2,5-8,10-12H2,1H3/p+2/t14-/m0/s1