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

Systemtic Name: (3R)-3-(azepan-1-ium-1-yl)-1-(1,3-benzodioxol-5-yl)pyrrolidine-2,5-dione Openeye Name: (3R)-3-(azepan-1-ium-1-yl)-1-(1,3-benzodioxol-5-yl)pyrrolidine-2,5-dione CAS Name: (3R)-3-(1-azepan-1-iumyl)-1-(1,3-benzodioxol-5-yl)pyrrolidine-2,5-dione IUPAC Name: (3R)-3-(azepan-1-ium-1-yl)-1-(1,3-benzodioxol-5-yl)pyrrolidine-2,5-dione Traditional Name: (3R)-3-(azepan-1-ium-1-yl)-1-(1,3-benzodioxol-5-yl)pyrrolidine-2,5-quinone Formula: C17H21N2O4+ MolecularWeight: 317.35964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H]2CC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H20N2O4/c20-16-10-13(18-7-3-1-2-4-8-18)17(21)19(16)12-5-6-14-15(9-12)23-11-22-14/h5-6,9,13H,1-4,7-8,10-11H2/p+1/t13-/m1/s1