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

Systemtic Name: 2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-phenethyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-phenethyl-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-phenethyl-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-phenethylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-phenethyl-piperazin-1-ium-2-yl]acetamide Formula: C21H25ClN7O+ MolecularWeight: 426.9225

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](C(CN1)CC(=O)N)(CCC2=CC=CC=C2)C3=CC(=NC(=N3)N4C=CN=C4)Cl

Isomeric SMILES

C1C[N+](C(CN1)CC(=O)N)(CCC2=CC=CC=C2)C3=CC(=NC(=N3)N4C=CN=C4)Cl

InChI

InChI=1S/C21H24ClN7O/c22-18-13-20(27-21(26-18)28-9-7-25-15-28)29(10-6-16-4-2-1-3-5-16)11-8-24-14-17(29)12-19(23)30/h1-5,7,9,13,15,17,24H,6,8,10-12,14H2,(H-,23,30)/p+1