(3R)-1-(1,3-benzodioxol-5-yl)-3-piperazin-4-ium-1-yl-pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(1,3-benzodioxol-5-yl)-3-piperazin-4-ium-1-yl-pyrrolidine-2,5-dione Openeye Name: (3R)-1-(1,3-benzodioxol-5-yl)-3-piperazin-4-ium-1-yl-pyrrolidine-2,5-dione CAS Name: (3R)-1-(1,3-benzodioxol-5-yl)-3-(1-piperazin-4-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(1,3-benzodioxol-5-yl)-3-piperazin-4-ium-1-ylpyrrolidine-2,5-dione Traditional Name: (3R)-1-(1,3-benzodioxol-5-yl)-3-piperazin-4-ium-1-yl-pyrrolidine-2,5-quinone Formula: C15H18N3O4+ MolecularWeight: 304.32112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2CC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH2+]1)[C@@H]2CC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C15H17N3O4/c19-14-8-11(17-5-3-16-4-6-17)15(20)18(14)10-1-2-12-13(7-10)22-9-21-12/h1-2,7,11,16H,3-6,8-9H2/p+1/t11-/m1/s1