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

Systemtic Name: 2-[1-(4,4-diethoxybutyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(4,4-diethoxybutyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-(4,4-diethoxybutyl)-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-(4,4-diethoxybutyl)-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(4,4-diethoxybutyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide Formula: C22H36N7O3+ MolecularWeight: 446.56634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCC[N+]1(CCNCC1CC(=O)N)C2=NC(=NC(=C2)C)N3C=CN=C3)OCC

Isomeric SMILES

CCOC(CCC[N+]1(CCNCC1CC(=O)N)C2=NC(=NC(=C2)C)N3C=CN=C3)OCC

InChI

InChI=1S/C22H35N7O3/c1-4-31-21(32-5-2)7-6-11-29(12-9-24-15-18(29)14-19(23)30)20-13-17(3)26-22(27-20)28-10-8-25-16-28/h8,10,13,16,18,21,24H,4-7,9,11-12,14-15H2,1-3H3,(H-,23,30)/p+1