2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[(4-methylphenyl)methyl]-4-pyridin-3-ylcarbonyl-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[(4-methylphenyl)methyl]-4-pyridin-3-ylcarbonyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(p-tolylmethyl)-4-(pyridine-3-carbonyl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-[(4-methylphenyl)methyl]-4-[oxo(3-pyridinyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-[(4-methylphenyl)methyl]-4-(pyridine-3-carbonyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(4-methylbenzyl)-4-nicotinoyl-piperazin-1-ium-2-yl]acetamide Formula: C28H31N8O2+ MolecularWeight: 511.59814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C(=O)C3=CN=CC=C3)C4=NC(=NC(=C4)C)N5C=CN=C5

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C(=O)C3=CN=CC=C3)C4=NC(=NC(=C4)C)N5C=CN=C5

InChI

InChI=1S/C28H30N8O2/c1-20-5-7-22(8-6-20)18-36(26-14-21(2)32-28(33-26)35-11-10-31-19-35)13-12-34(17-24(36)15-25(29)37)27(38)23-4-3-9-30-16-23/h3-11,14,16,19,24H,12-13,15,17-18H2,1-2H3,(H-,29,37)/p+1