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

Systemtic Name: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-methyl-pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-methyl-pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-1-methylpyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-methylpyrrolidine-2,5-dione Traditional Name: (3S)-1-methyl-3-(4-piperonylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-quinone Formula: C17H23N3O4+2 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC(C1=O)[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C(=O)C[C@@H](C1=O)[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H21N3O4/c1-18-16(21)9-13(17(18)22)20-6-4-19(5-7-20)10-12-2-3-14-15(8-12)24-11-23-14/h2-3,8,13H,4-7,9-11H2,1H3/p+2/t13-/m0/s1