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

Systemtic Name: 2-[4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[2-(4-methoxyphenyl)ethyl]-1-methylsulfonyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-[2-(4-methoxyphenyl)ethyl]-1-methylsulfonyl-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[4-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-[2-(4-methoxyphenyl)ethyl]-1-methylsulfonyl-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-[2-(4-methoxyphenyl)ethyl]-1-methylsulfonylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[4-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-mesyl-1-[2-(4-methoxyphenyl)ethyl]piperazin-1-ium-2-yl]acetamide Formula: C24H32N7O4S+ MolecularWeight: 514.62038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)N3CC[N+](C(C3)CC(=O)N)(CCC4=CC=C(C=C4)OC)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)N3CC[N+](C(C3)CC(=O)N)(CCC4=CC=C(C=C4)OC)S(=O)(=O)C

InChI

InChI=1S/C24H31N7O4S/c1-18-14-23(28-24(27-18)30-10-9-26-17-30)29-11-13-31(36(3,33)34,20(16-29)15-22(25)32)12-8-19-4-6-21(35-2)7-5-19/h4-7,9-10,14,17,20H,8,11-13,15-16H2,1-3H3,(H-,25,32)/p+1