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

Systemtic Name: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-phenethyl-pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-phenethyl-pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-1-phenethylpyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-phenethylpyrrolidine-2,5-dione Traditional Name: (3S)-1-phenethyl-3-(4-piperonylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-quinone Formula: C24H29N3O4+2 MolecularWeight: 423.50476

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4CC(=O)N(C4=O)CCC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)[C@H]4CC(=O)N(C4=O)CCC5=CC=CC=C5

InChI

InChI=1S/C24H27N3O4/c28-23-15-20(24(29)27(23)9-8-18-4-2-1-3-5-18)26-12-10-25(11-13-26)16-19-6-7-21-22(14-19)31-17-30-21/h1-7,14,20H,8-13,15-17H2/p+2/t20-/m0/s1