2-[4-ethanoyl-1-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)-1-[(3-methoxyphenyl)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-[(3-methoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[4-acetyl-1-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-1-[(3-methoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: 2-[4-acetyl-1-[2-(1-imidazolyl)-6-propan-2-yl-4-pyrimidinyl]-1-[(3-methoxyphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-acetyl-1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-1-[(3-methoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[4-acetyl-1-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-1-m-anisyl-piperazin-1-ium-2-yl]acetamide Formula: C26H34N7O3+ MolecularWeight: 492.59326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)C)CC4=CC(=CC=C4)OC

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C(=O)C)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C26H33N7O3/c1-18(2)23-14-25(30-26(29-23)32-9-8-28-17-32)33(16-20-6-5-7-22(12-20)36-4)11-10-31(19(3)34)15-21(33)13-24(27)35/h5-9,12,14,17-18,21H,10-11,13,15-16H2,1-4H3,(H-,27,35)/p+1