2-[4-ethanoyl-1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[4-ethanoyl-1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[4-acetyl-1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: 2-[4-acetyl-1-[2-(1-imidazolyl)-4-pyrimidinyl]-1-[(4-methoxyphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-acetyl-1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[4-acetyl-1-(2-imidazol-1-ylpyrimidin-4-yl)-1-p-anisyl-piperazin-1-ium-2-yl]acetamide Formula: C23H28N7O3+ MolecularWeight: 450.51352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=CC=C(C=C2)OC)C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

CC(=O)N1CC[N+](C(C1)CC(=O)N)(CC2=CC=C(C=C2)OC)C3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C23H27N7O3/c1-17(31)28-11-12-30(19(14-28)13-21(24)32,15-18-3-5-20(33-2)6-4-18)22-7-8-26-23(27-22)29-10-9-25-16-29/h3-10,16,19H,11-15H2,1-2H3,(H-,24,32)/p+1