2-[1-[(3-chlorophenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-[(3-chlorophenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[(3-chlorophenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[(3-chlorophenyl)methyl]-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-[(3-chlorophenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(3-chlorobenzyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Formula: C21H24ClN6O+ MolecularWeight: 411.90786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN6O/c22-17-5-3-4-16(12-17)14-28(11-2-1-6-18(28)13-19(23)29)20-7-8-25-21(26-20)27-10-9-24-15-27/h3-5,7-10,12,15,18H,1-2,6,11,13-14H2,(H-,23,29)/p+1