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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C(=O)C)C3=CC(=NC(=N3)N4C=CN=C4)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C[N+]2(CCN(CC2CC(=O)N)C(=O)C)C3=CC(=NC(=N3)N4C=CN=C4)Cl

InChI

InChI=1S/C24H28ClN7O3/c1-3-35-20-6-4-18(5-7-20)15-32(11-10-30(17(2)33)14-19(32)12-22(26)34)23-13-21(25)28-24(29-23)31-9-8-27-16-31/h4-9,13,16,19H,3,10-12,14-15H2,1-2H3,(H-,26,34)/p+1