2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-methyl-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-methyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-methyl-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-methyl-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-methyl-piperazin-1-ium-2-yl]acetamide Formula: C14H19ClN7O+ MolecularWeight: 336.79996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1CC(=O)N)C2=CC(=NC(=N2)N3C=CN=C3)Cl

Isomeric SMILES

C[N+]1(CCNCC1CC(=O)N)C2=CC(=NC(=N2)N3C=CN=C3)Cl

InChI

InChI=1S/C14H18ClN7O/c1-22(5-3-17-8-10(22)6-12(16)23)13-7-11(15)19-14(20-13)21-4-2-18-9-21/h2,4,7,9-10,17H,3,5-6,8H2,1H3,(H-,16,23)/p+1