2-[1-[2-(4-chlorophenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-[2-(4-chlorophenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[2-(4-chlorophenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(4-chlorophenyl)ethyl]-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-[2-(4-chlorophenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-[2-(4-chlorophenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Formula: C22H26ClN6O+ MolecularWeight: 425.93444

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C(C1)CC(=O)N)(CCC2=CC=C(C=C2)Cl)C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

C1CC[N+](C(C1)CC(=O)N)(CCC2=CC=C(C=C2)Cl)C3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C22H25ClN6O/c23-18-6-4-17(5-7-18)9-14-29(13-2-1-3-19(29)15-20(24)30)21-8-10-26-22(27-21)28-12-11-25-16-28/h4-8,10-12,16,19H,1-3,9,13-15H2,(H-,24,30)/p+1