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

Systemtic Name: 2-[1-hexyl-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-hexyl-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-hexyl-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-hexyl-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-hexyl-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Formula: C21H33N6O+ MolecularWeight: 385.52632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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