2-[4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-ethanoyl-1-[2-(4-methylphenoxy)ethyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-ethanoyl-1-[2-(4-methylphenoxy)ethyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-acetyl-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-[2-(4-methylphenoxy)ethyl]piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-acetyl-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-[2-(4-methylphenoxy)ethyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-acetyl-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-[2-(4-methylphenoxy)ethyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-acetyl-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-[2-(4-methylphenoxy)ethyl]piperazin-1-ium-2-yl]acetamide Formula: C24H29ClN7O3+ MolecularWeight: 498.98516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC[N+]2(CCN(CC2CC(=O)N)C3=CC(=NC(=N3)N4C=CN=C4)Cl)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)OCC[N+]2(CCN(CC2CC(=O)N)C3=CC(=NC(=N3)N4C=CN=C4)Cl)C(=O)C

InChI

InChI=1S/C24H28ClN7O3/c1-17-3-5-20(6-4-17)35-12-11-32(18(2)33)10-9-30(15-19(32)13-22(26)34)23-14-21(25)28-24(29-23)31-8-7-27-16-31/h3-8,14,16,19H,9-13,15H2,1-2H3,(H-,26,34)/p+1