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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N6O/c1-3-5-8-18(4-2)16-28(14-7-6-9-19(28)15-20(23)29)21-10-11-25-22(26-21)27-13-12-24-17-27/h10-13,17-19H,3-9,14-16H2,1-2H3,(H-,23,29)/p+1