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

Systemtic Name: 2-[1-heptan-2-yl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(1-methylhexyl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-heptan-2-yl-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-heptan-2-yl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(1-methylhexyl)piperidin-1-ium-2-yl]acetamide Formula: C21H33N6O+ MolecularWeight: 385.52632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N6O/c1-3-4-5-8-17(2)27(14-7-6-9-18(27)15-19(22)28)20-10-11-24-21(25-20)26-13-12-23-16-26/h10-13,16-18H,3-9,14-15H2,1-2H3,(H-,22,28)/p+1