2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-1-[(4-methylsulfonylphenyl)methyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(4-mesylbenzyl)piperidin-1-ium-2-yl]acetamide Formula: C22H27N6O3S+ MolecularWeight: 455.55318

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C[N+]2(CCCCC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C[N+]2(CCCCC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C22H26N6O3S/c1-32(30,31)19-7-5-17(6-8-19)15-28(13-3-2-4-18(28)14-20(23)29)21-9-10-25-22(26-21)27-12-11-24-16-27/h5-12,16,18H,2-4,13-15H2,1H3,(H-,23,29)/p+1