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

Systemtic Name: 2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(4-ethoxyphenyl)methyl]-4-methyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(4-ethoxyphenyl)methyl]-4-methyl-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-[(4-ethoxyphenyl)methyl]-4-methyl-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-ethoxyphenyl)methyl]-4-methylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-(4-ethoxybenzyl)-4-methyl-piperazin-1-ium-2-yl]acetamide Formula: C23H29ClN7O2+ MolecularWeight: 470.97506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN7O2/c1-3-33-19-6-4-17(5-7-19)15-31(11-10-29(2)14-18(31)12-21(25)32)22-13-20(24)27-23(28-22)30-9-8-26-16-30/h4-9,13,16,18H,3,10-12,14-15H2,1-2H3,(H-,25,32)/p+1