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

Systemtic Name: 2-[1-[(4-chlorophenyl)methyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-methyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[(4-chlorophenyl)methyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-methyl-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[(4-chlorophenyl)methyl]-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-4-methyl-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-[(4-chlorophenyl)methyl]-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-4-methylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(4-chlorobenzyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-4-methyl-piperazin-1-ium-2-yl]acetamide Formula: C22H27ClN7O+ MolecularWeight: 440.94908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)C)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H26ClN7O/c1-16-11-21(27-22(26-16)29-8-7-25-15-29)30(14-17-3-5-18(23)6-4-17)10-9-28(2)13-19(30)12-20(24)31/h3-8,11,15,19H,9-10,12-14H2,1-2H3,(H-,24,31)/p+1