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

Systemtic Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-octan-2-yl-piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(1-methylheptyl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-1-octan-2-yl-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-octan-2-ylpiperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(1-methylheptyl)piperidin-1-ium-2-yl]acetamide Formula: C22H35N6O+ MolecularWeight: 399.5529

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)[N+]1(CCCCC1CC(=O)N)C2=NC(=NC=C2)N3C=CN=C3

Isomeric SMILES

CCCCCCC(C)[N+]1(CCCCC1CC(=O)N)C2=NC(=NC=C2)N3C=CN=C3

InChI

InChI=1S/C22H34N6O/c1-3-4-5-6-9-18(2)28(15-8-7-10-19(28)16-20(23)29)21-11-12-25-22(26-21)27-14-13-24-17-27/h11-14,17-19H,3-10,15-16H2,1-2H3,(H-,23,29)/p+1