3-(2-azanyl-2-oxidanylidene-ethyl)-4-cyclopropyl-4-[2-imidazol-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]-N-propyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-cyclopropyl-4-[2-imidazol-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]-N-propyl-piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-cyclopropyl-4-[2-imidazol-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]-N-propyl-piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-cyclopropyl-4-[2-(1-imidazolyl)-6-(trifluoromethyl)-4-pyrimidinyl]-N-propyl-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-cyclopropyl-4-[2-imidazol-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]-N-propylpiperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-cyclopropyl-4-[2-imidazol-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]-N-propyl-piperazin-4-ium-1-carboxamide Formula: C21H28F3N8O2+ MolecularWeight: 481.49463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CC[N+](C(C1)CC(=O)N)(C2CC2)C3=NC(=NC(=C3)C(F)(F)F)N4C=CN=C4

Isomeric SMILES

CCCNC(=O)N1CC[N+](C(C1)CC(=O)N)(C2CC2)C3=NC(=NC(=C3)C(F)(F)F)N4C=CN=C4

InChI

InChI=1S/C21H27F3N8O2/c1-2-5-27-20(34)30-8-9-32(14-3-4-14,15(12-30)10-17(25)33)18-11-16(21(22,23)24)28-19(29-18)31-7-6-26-13-31/h6-7,11,13-15H,2-5,8-10,12H2,1H3,(H2-,25,27,33,34)/p+1