2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[1-(4-methoxyphenyl)ethyl]-4-methylsulfonyl-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[1-(4-methoxyphenyl)ethyl]-4-methylsulfonyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[1-(4-methoxyphenyl)ethyl]-4-methylsulfonyl-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-1-[1-(4-methoxyphenyl)ethyl]-4-methylsulfonyl-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-[1-(4-methoxyphenyl)ethyl]-4-methylsulfonylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-4-mesyl-1-[1-(4-methoxyphenyl)ethyl]piperazin-1-ium-2-yl]acetamide Formula: C23H30N7O4S+ MolecularWeight: 500.5938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OC)[N+]2(CCN(CC2CC(=O)N)S(=O)(=O)C)C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

CC(C1=CC=C(C=C1)OC)[N+]2(CCN(CC2CC(=O)N)S(=O)(=O)C)C3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C23H29N7O4S/c1-17(18-4-6-20(34-2)7-5-18)30(22-8-9-26-23(27-22)28-11-10-25-16-28)13-12-29(35(3,32)33)15-19(30)14-21(24)31/h4-11,16-17,19H,12-15H2,1-3H3,(H-,24,31)/p+1