2-(2-azanyl-2-oxidanylidene-ethyl)-N-(3,4-dichlorophenyl)-1-ethyl-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-carboxamide

Systemtic Name: 2-(2-azanyl-2-oxidanylidene-ethyl)-N-(3,4-dichlorophenyl)-1-ethyl-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-carboxamide Openeye Name: 2-(2-amino-2-oxo-ethyl)-N-(3,4-dichlorophenyl)-1-ethyl-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-carboxamide CAS Name: 2-(2-amino-2-oxoethyl)-N-(3,4-dichlorophenyl)-1-ethyl-4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-piperazin-1-iumcarboxamide IUPAC Name: 2-(2-amino-2-oxoethyl)-N-(3,4-dichlorophenyl)-1-ethyl-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazin-1-ium-1-carboxamide Traditional Name: 2-(2-amino-2-keto-ethyl)-N-(3,4-dichlorophenyl)-1-ethyl-4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-carboxamide Formula: C23H27Cl2N8O2+ MolecularWeight: 518.41888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCN(CC1CC(=O)N)C2=NC(=NC(=C2)C)N3C=CN=C3)C(=O)NC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CC[N+]1(CCN(CC1CC(=O)N)C2=NC(=NC(=C2)C)N3C=CN=C3)C(=O)NC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C23H26Cl2N8O2/c1-3-33(23(35)29-16-4-5-18(24)19(25)11-16)9-8-31(13-17(33)12-20(26)34)21-10-15(2)28-22(30-21)32-7-6-27-14-32/h4-7,10-11,14,17H,3,8-9,12-13H2,1-2H3,(H2-,26,29,34,35)/p+1