2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(3-chloranyl-4-methoxy-phenyl)methyl]piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(3-chloranyl-4-methoxy-phenyl)methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-[(3-chloro-4-methoxy-phenyl)methyl]piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-[(3-chloro-4-methoxyphenyl)methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-[(3-chloro-4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-(3-chloro-4-methoxy-benzyl)piperazin-1-ium-2-yl]acetamide Formula: C21H24Cl2N7O2+ MolecularWeight: 477.36696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[N+]2(CCNCC2CC(=O)N)C3=CC(=NC(=N3)N4C=CN=C4)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C[N+]2(CCNCC2CC(=O)N)C3=CC(=NC(=N3)N4C=CN=C4)Cl)Cl

InChI

InChI=1S/C21H23Cl2N7O2/c1-32-17-3-2-14(8-16(17)22)12-30(7-5-25-11-15(30)9-19(24)31)20-10-18(23)27-21(28-20)29-6-4-26-13-29/h2-4,6,8,10,13,15,25H,5,7,9,11-12H2,1H3,(H-,24,31)/p+1