2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-[1-(4-methoxyphenyl)ethyl]-4-methylsulfonyl-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-[1-(4-methoxyphenyl)ethyl]-4-methylsulfonyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-1-[1-(4-methoxyphenyl)ethyl]-4-methylsulfonyl-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-1-[1-(4-methoxyphenyl)ethyl]-4-methylsulfonyl-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-[1-(4-methoxyphenyl)ethyl]-4-methylsulfonylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-mesyl-1-[1-(4-methoxyphenyl)ethyl]piperazin-1-ium-2-yl]acetamide Formula: C23H29ClN7O4S+ MolecularWeight: 535.03886

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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=CC(=NC(=N3)N4C=CN=C4)Cl

Isomeric SMILES

CC(C1=CC=C(C=C1)OC)[N+]2(CCN(CC2CC(=O)N)S(=O)(=O)C)C3=CC(=NC(=N3)N4C=CN=C4)Cl

InChI

InChI=1S/C23H28ClN7O4S/c1-16(17-4-6-19(35-2)7-5-17)31(11-10-30(36(3,33)34)14-18(31)12-21(25)32)22-13-20(24)27-23(28-22)29-9-8-26-15-29/h4-9,13,15-16,18H,10-12,14H2,1-3H3,(H-,25,32)/p+1