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

Systemtic Name: (3S)-1-(1,3-benzodioxol-5-yl)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-1-(1,3-benzodioxol-5-yl)-3-(4-benzylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(1,3-benzodioxol-5-yl)-3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(1,3-benzodioxol-5-yl)-3-(4-benzylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(1,3-benzodioxol-5-yl)-3-(4-benzylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-quinone Formula: C22H25N3O4+2 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)C3CC(=O)N(C3=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)[C@H]3CC(=O)N(C3=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H23N3O4/c26-21-13-18(22(27)25(21)17-6-7-19-20(12-17)29-15-28-19)24-10-8-23(9-11-24)14-16-4-2-1-3-5-16/h1-7,12,18H,8-11,13-15H2/p+2/t18-/m0/s1