2-[4-ethanoyl-1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-methylphenyl)methyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[4-ethanoyl-1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-methylphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[4-acetyl-1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(p-tolylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[4-acetyl-1-[2-(1-imidazolyl)-4-pyrimidinyl]-1-[(4-methylphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-acetyl-1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-methylphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[4-acetyl-1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(4-methylbenzyl)piperazin-1-ium-2-yl]acetamide Formula: C23H28N7O2+ MolecularWeight: 434.51412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N7O2/c1-17-3-5-19(6-4-17)15-30(12-11-28(18(2)31)14-20(30)13-21(24)32)22-7-8-26-23(27-22)29-10-9-25-16-29/h3-10,16,20H,11-15H2,1-2H3,(H-,24,32)/p+1