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

Systemtic Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[1-(4-methoxyphenyl)ethyl]-4-pyridin-3-ylcarbonyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[1-(4-methoxyphenyl)ethyl]-4-(pyridine-3-carbonyl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-[1-(4-methoxyphenyl)ethyl]-4-[oxo(3-pyridinyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-[1-(4-methoxyphenyl)ethyl]-4-(pyridine-3-carbonyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[1-(4-methoxyphenyl)ethyl]-4-nicotinoyl-piperazin-1-ium-2-yl]acetamide Formula: C29H33N8O3+ MolecularWeight: 541.62412

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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)C(C)C5=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)C(C)C5=CC=C(C=C5)OC

InChI

InChI=1S/C29H32N8O3/c1-20-15-27(34-29(33-20)36-12-11-32-19-36)37(21(2)22-6-8-25(40-3)9-7-22)14-13-35(18-24(37)16-26(30)38)28(39)23-5-4-10-31-17-23/h4-12,15,17,19,21,24H,13-14,16,18H2,1-3H3,(H-,30,38)/p+1