2-[1-[(2,4-dichlorophenyl)methyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-[(2,4-dichlorophenyl)methyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[(2,4-dichlorophenyl)methyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[(2,4-dichlorophenyl)methyl]-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-[(2,4-dichlorophenyl)methyl]-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2,4-dichlorobenzyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Formula: C22H25Cl2N6O+ MolecularWeight: 460.3795

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCCCC3CC(=O)N)CC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCCCC3CC(=O)N)CC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H24Cl2N6O/c1-15-10-21(28-22(27-15)29-8-7-26-14-29)30(9-3-2-4-18(30)12-20(25)31)13-16-5-6-17(23)11-19(16)24/h5-8,10-11,14,18H,2-4,9,12-13H2,1H3,(H-,25,31)/p+1