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

Systemtic Name: 2-[4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-methyl-1-[(4-methylphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-methyl-1-(p-tolylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-methyl-1-[(4-methylphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-methyl-1-[(4-methylphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-methyl-1-(4-methylbenzyl)piperazin-1-ium-2-yl]acetamide Formula: C22H27ClN7O+ MolecularWeight: 440.94908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C3=CC(=NC(=N3)N4C=CN=C4)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C3=CC(=NC(=N3)N4C=CN=C4)Cl)C

InChI

InChI=1S/C22H26ClN7O/c1-16-3-5-17(6-4-16)14-30(2)10-9-28(13-18(30)11-20(24)31)21-12-19(23)26-22(27-21)29-8-7-25-15-29/h3-8,12,15,18H,9-11,13-14H2,1-2H3,(H-,24,31)/p+1