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

Systemtic Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(1-oxidanylhexan-2-yl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[1-(hydroxymethyl)pentyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-(1-hydroxyhexan-2-yl)-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(1-hydroxyhexan-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-methylolpentyl)piperidin-1-ium-2-yl]acetamide Formula: C20H31N6O2+ MolecularWeight: 387.49914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N6O2/c1-2-3-6-17(14-27)26(12-5-4-7-16(26)13-18(21)28)19-8-9-23-20(24-19)25-11-10-22-15-25/h8-11,15-17,27H,2-7,12-14H2,1H3,(H-,21,28)/p+1