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

Systemtic Name: 1-(4,6-dimethylpyrimidin-2-yl)-1-quinoxalin-6-yl-piperidin-1-ium-3-carboxamide Openeye Name: 1-(4,6-dimethylpyrimidin-2-yl)-1-quinoxalin-6-yl-piperidin-1-ium-3-carboxamide CAS Name: 1-(4,6-dimethyl-2-pyrimidinyl)-1-(6-quinoxalinyl)-3-piperidin-1-iumcarboxamide IUPAC Name: 1-(4,6-dimethylpyrimidin-2-yl)-1-quinoxalin-6-ylpiperidin-1-ium-3-carboxamide Traditional Name: 1-(4,6-dimethylpyrimidin-2-yl)-1-quinoxalin-6-yl-piperidin-1-ium-3-carboxamide Formula: C20H23N6O+ MolecularWeight: 363.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)[N+]2(CCCC(C2)C(=O)N)C3=CC4=NC=CN=C4C=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)[N+]2(CCCC(C2)C(=O)N)C3=CC4=NC=CN=C4C=C3)C

InChI

InChI=1S/C20H22N6O/c1-13-10-14(2)25-20(24-13)26(9-3-4-15(12-26)19(21)27)16-5-6-17-18(11-16)23-8-7-22-17/h5-8,10-11,15H,3-4,9,12H2,1-2H3,(H-,21,27)/p+1