1-(4,6-dimethylpyrimidin-2-yl)-1-(2,3-dimethylquinoxalin-6-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-1-(2,3-dimethylquinoxalin-6-yl)piperidin-1-ium-3-carboxamide Openeye Name: 1-(4,6-dimethylpyrimidin-2-yl)-1-(2,3-dimethylquinoxalin-6-yl)piperidin-1-ium-3-carboxamide CAS Name: 1-(4,6-dimethyl-2-pyrimidinyl)-1-(2,3-dimethyl-6-quinoxalinyl)-3-piperidin-1-iumcarboxamide IUPAC Name: 1-(4,6-dimethylpyrimidin-2-yl)-1-(2,3-dimethylquinoxalin-6-yl)piperidin-1-ium-3-carboxamide Traditional Name: 1-(4,6-dimethylpyrimidin-2-yl)-1-(2,3-dimethylquinoxalin-6-yl)piperidin-1-ium-3-carboxamide Formula: C22H27N6O+ MolecularWeight: 391.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)[N+]2(CCCC(C2)C(=O)N)C3=CC4=C(C=C3)N=C(C(=N4)C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)[N+]2(CCCC(C2)C(=O)N)C3=CC4=C(C=C3)N=C(C(=N4)C)C)C

InChI

InChI=1S/C22H26N6O/c1-13-10-14(2)25-22(24-13)28(9-5-6-17(12-28)21(23)29)18-7-8-19-20(11-18)27-16(4)15(3)26-19/h7-8,10-11,17H,5-6,9,12H2,1-4H3,(H-,23,29)/p+1