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

Systemtic Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-pentyl-piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-pentyl-piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-1-pentyl-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-pentylpiperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-amyl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Formula: C19H29N6O+ MolecularWeight: 357.47316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N6O/c1-2-3-5-12-25(13-6-4-7-16(25)14-17(20)26)18-8-9-22-19(23-18)24-11-10-21-15-24/h8-11,15-16H,2-7,12-14H2,1H3,(H-,20,26)/p+1