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

Systemtic Name: 2-[4-ethanoyl-1-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)-1-[(4-methylphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[4-acetyl-1-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-1-(p-tolylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[4-acetyl-1-[2-(1-imidazolyl)-6-propan-2-yl-4-pyrimidinyl]-1-[(4-methylphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-acetyl-1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-1-[(4-methylphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[4-acetyl-1-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-1-(4-methylbenzyl)piperazin-1-ium-2-yl]acetamide Formula: C26H34N7O2+ MolecularWeight: 476.59386

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)C(C)C)N4C=CN=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H33N7O2/c1-18(2)23-14-25(30-26(29-23)32-10-9-28-17-32)33(16-21-7-5-19(3)6-8-21)12-11-31(20(4)34)15-22(33)13-24(27)35/h5-10,14,17-18,22H,11-13,15-16H2,1-4H3,(H-,27,35)/p+1