2-[1-[(3,4-dimethoxyphenyl)methyl]-1-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)-4-methylsulfonyl-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-1-(2-imidazol-1-yl-6-propan-2-yl-pyrimidin-4-yl)-4-methylsulfonyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-1-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-4-methylsulfonyl-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-1-[2-(1-imidazolyl)-6-propan-2-yl-4-pyrimidinyl]-4-methylsulfonyl-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-4-methylsulfonylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-yl-6-isopropyl-pyrimidin-4-yl)-4-mesyl-1-veratryl-piperazin-1-ium-2-yl]acetamide Formula: C26H36N7O5S+ MolecularWeight: 558.67294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)S(=O)(=O)C)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCN(CC3CC(=O)N)S(=O)(=O)C)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H35N7O5S/c1-18(2)21-14-25(30-26(29-21)31-9-8-28-17-31)33(16-19-6-7-22(37-3)23(12-19)38-4)11-10-32(39(5,35)36)15-20(33)13-24(27)34/h6-9,12,14,17-18,20H,10-11,13,15-16H2,1-5H3,(H-,27,34)/p+1