2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[(4-methoxyphenyl)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-methoxyphenyl)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-[(4-methoxyphenyl)methyl]-4-(pyridine-3-carbonyl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-[(4-methoxyphenyl)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-methoxyphenyl)methyl]-4-(pyridine-3-carbonyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-nicotinoyl-1-p-anisyl-piperazin-1-ium-2-yl]acetamide Formula: C28H31N8O3+ MolecularWeight: 527.59754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)C4=CN=CC=C4)CC5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)C4=CN=CC=C4)CC5=CC=C(C=C5)OC

InChI

InChI=1S/C28H30N8O3/c1-20-14-26(33-28(32-20)35-11-10-31-19-35)36(18-21-5-7-24(39-2)8-6-21)13-12-34(17-23(36)15-25(29)37)27(38)22-4-3-9-30-16-22/h3-11,14,16,19,23H,12-13,15,17-18H2,1-2H3,(H-,29,37)/p+1