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

Systemtic Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[[4-(methylsulfonylamino)phenyl]methyl]piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[[4-(methanesulfonamido)phenyl]methyl]piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-[[4-(methanesulfonamido)phenyl]methyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-[[4-(methanesulfonamido)phenyl]methyl]piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[4-(methanesulfonamido)benzyl]piperazin-1-ium-2-yl]acetamide Formula: C22H29N8O3S+ MolecularWeight: 485.58246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCNCC3CC(=O)N)CC4=CC=C(C=C4)NS(=O)(=O)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCNCC3CC(=O)N)CC4=CC=C(C=C4)NS(=O)(=O)C

InChI

InChI=1S/C22H28N8O3S/c1-16-11-21(27-22(26-16)29-9-7-25-15-29)30(10-8-24-13-19(30)12-20(23)31)14-17-3-5-18(6-4-17)28-34(2,32)33/h3-7,9,11,15,19,24,28H,8,10,12-14H2,1-2H3,(H-,23,31)/p+1