2,4-dimethyl-3-[3-oxidanylidene-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methylamino]propyl]imidazo[1,5-a]pyrimidine-8-carboxamide

Systemtic Name: 2,4-dimethyl-3-[3-oxidanylidene-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methylamino]propyl]imidazo[1,5-a]pyrimidine-8-carboxamide Openeye Name: 2,4-dimethyl-3-[3-oxo-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methylamino]propyl]imidazo[1,5-a]pyrimidine-8-carboxamide CAS Name: 2,4-dimethyl-3-[3-oxo-3-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methylamino]propyl]-8-imidazo[1,5-a]pyrimidinecarboxamide IUPAC Name: 2,4-dimethyl-3-[3-oxo-3-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methylamino]propyl]imidazo[1,5-a]pyrimidine-8-carboxamide Traditional Name: 3-[3-keto-3-[(2-pyrrolidinopyridin-1-ium-4-yl)methylamino]propyl]-2,4-dimethyl-imidazo[1,5-a]pyrimidine-8-carboxamide Formula: C22H28N7O2+ MolecularWeight: 422.50342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=C(N=CN12)C(=O)N)C)CCC(=O)NCC3=CC(=[NH+]C=C3)N4CCCC4

Isomeric SMILES

CC1=C(C(=NC2=C(N=CN12)C(=O)N)C)CCC(=O)NCC3=CC(=[NH+]C=C3)N4CCCC4

InChI

InChI=1S/C22H27N7O2/c1-14-17(15(2)29-13-26-20(21(23)31)22(29)27-14)5-6-19(30)25-12-16-7-8-24-18(11-16)28-9-3-4-10-28/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H2,23,31)(H,25,30)/p+1