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

Systemtic Name: 2-[1-[(2,4-dichlorophenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[(2,4-dichlorophenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[(2,4-dichlorophenyl)methyl]-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-[(2,4-dichlorophenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2,4-dichlorobenzyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Formula: C21H23Cl2N6O+ MolecularWeight: 446.35292

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C(C1)CC(=O)N)(CC2=C(C=C(C=C2)Cl)Cl)C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

C1CC[N+](C(C1)CC(=O)N)(CC2=C(C=C(C=C2)Cl)Cl)C3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C21H22Cl2N6O/c22-16-5-4-15(18(23)11-16)13-29(10-2-1-3-17(29)12-19(24)30)20-6-7-26-21(27-20)28-9-8-25-14-28/h4-9,11,14,17H,1-3,10,12-13H2,(H-,24,30)/p+1