2-[1-(2-imidazol-1-yl-6-propan-2-yl-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-propan-2-yl-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-isopropyl-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-propan-2-yl-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-propan-2-ylpyrimidin-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-isopropyl-pyrimidin-4-yl)-4-nicotinoyl-1-p-anisyl-piperazin-1-ium-2-yl]acetamide Formula: C30H35N8O3+ MolecularWeight: 555.6507

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=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

CC(C)C1=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/C30H34N8O3/c1-21(2)26-16-28(35-30(34-26)37-12-11-33-20-37)38(19-22-6-8-25(41-3)9-7-22)14-13-36(18-24(38)15-27(31)39)29(40)23-5-4-10-32-17-23/h4-12,16-17,20-21,24H,13-15,18-19H2,1-3H3,(H-,31,39)/p+1