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

Systemtic Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[[4-(methylsulfonylamino)phenyl]methyl]piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[[4-(methanesulfonamido)phenyl]methyl]piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-[[4-(methanesulfonamido)phenyl]methyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-[[4-(methanesulfonamido)phenyl]methyl]piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[4-(methanesulfonamido)benzyl]piperidin-1-ium-2-yl]acetamide Formula: C23H30N7O3S+ MolecularWeight: 484.5944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCCCC3CC(=O)N)CC4=CC=C(C=C4)NS(=O)(=O)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCCCC3CC(=O)N)CC4=CC=C(C=C4)NS(=O)(=O)C

InChI

InChI=1S/C23H29N7O3S/c1-17-13-22(27-23(26-17)29-11-10-25-16-29)30(12-4-3-5-20(30)14-21(24)31)15-18-6-8-19(9-7-18)28-34(2,32)33/h6-11,13,16,20,28H,3-5,12,14-15H2,1-2H3,(H-,24,31)/p+1