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

Systemtic Name: 3-(azepan-1-ium-1-yl)-1-(dimethylamino)pyrrolidine-2,5-dione Openeye Name: 3-(azepan-1-ium-1-yl)-1-(dimethylamino)pyrrolidine-2,5-dione CAS Name: 3-(1-azepan-1-iumyl)-1-(dimethylamino)pyrrolidine-2,5-dione IUPAC Name: 3-(azepan-1-ium-1-yl)-1-(dimethylamino)pyrrolidine-2,5-dione Traditional Name: 3-(azepan-1-ium-1-yl)-1-(dimethylamino)pyrrolidine-2,5-quinone Formula: C12H22N3O2+ MolecularWeight: 240.32198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)N1C(=O)CC(C1=O)[NH+]2CCCCCC2

Isomeric SMILES

CN(C)N1C(=O)CC(C1=O)[NH+]2CCCCCC2

InChI

InChI=1S/C12H21N3O2/c1-13(2)15-11(16)9-10(12(15)17)14-7-5-3-4-6-8-14/h10H,3-9H2,1-2H3/p+1