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

Systemtic Name: 2-[1-[2-(3-bromanyl-4-methoxy-phenyl)ethyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[2-(3-bromo-4-methoxy-phenyl)ethyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(3-bromo-4-methoxyphenyl)ethyl]-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-[2-(3-bromo-4-methoxyphenyl)ethyl]-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-[2-(3-bromo-4-methoxy-phenyl)ethyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide Formula: C23H29BrN7O2+ MolecularWeight: 515.42606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCNCC3CC(=O)N)CCC4=CC(=C(C=C4)OC)Br

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCNCC3CC(=O)N)CCC4=CC(=C(C=C4)OC)Br

InChI

InChI=1S/C23H28BrN7O2/c1-16-11-22(29-23(28-16)30-8-6-27-15-30)31(10-7-26-14-18(31)13-21(25)32)9-5-17-3-4-20(33-2)19(24)12-17/h3-4,6,8,11-12,15,18,26H,5,7,9-10,13-14H2,1-2H3,(H-,25,32)/p+1