2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(pyridin-2-ylmethyl)piperidin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(pyridin-2-ylmethyl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(2-pyridylmethyl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-1-(2-pyridinylmethyl)-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(pyridin-2-ylmethyl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(2-pyridylmethyl)piperidin-1-ium-2-yl]acetamide Formula: C20H24N7O+ MolecularWeight: 378.45086

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C(C1)CC(=O)N)(CC2=CC=CC=N2)C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

C1CC[N+](C(C1)CC(=O)N)(CC2=CC=CC=N2)C3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C20H23N7O/c21-18(28)13-17-6-2-4-12-27(17,14-16-5-1-3-8-23-16)19-7-9-24-20(25-19)26-11-10-22-15-26/h1,3,5,7-11,15,17H,2,4,6,12-14H2,(H-,21,28)/p+1