2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-pentyl-piperidin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-pentyl-piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-pentyl-piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-pentyl-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-pentylpiperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-amyl-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Formula: C20H31N6O+ MolecularWeight: 371.49974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N6O/c1-3-4-6-11-26(12-7-5-8-17(26)14-18(21)27)19-13-16(2)23-20(24-19)25-10-9-22-15-25/h9-10,13,15,17H,3-8,11-12,14H2,1-2H3,(H-,21,27)/p+1