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

Systemtic Name: 2-[1-(4,4-diethoxybutyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(4,4-diethoxybutyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-(4,4-diethoxybutyl)-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(4,4-diethoxybutyl)-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(4,4-diethoxybutyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Formula: C23H37N6O3+ MolecularWeight: 445.57828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36N6O3/c1-4-31-22(32-5-2)10-8-14-29(13-7-6-9-19(29)16-20(24)30)21-15-18(3)26-23(27-21)28-12-11-25-17-28/h11-12,15,17,19,22H,4-10,13-14,16H2,1-3H3,(H-,24,30)/p+1