N2-(5-chloranylpyridin-2-yl)-1-oxidanyl-N1-(2-propan-2-ylphenyl)piperidin-1-ium-1,2-dicarboxamide

Systemtic Name: N2-(5-chloranylpyridin-2-yl)-1-oxidanyl-N1-(2-propan-2-ylphenyl)piperidin-1-ium-1,2-dicarboxamide Openeye Name: N2-(5-chloro-2-pyridyl)-1-hydroxy-N1-(2-isopropylphenyl)piperidin-1-ium-1,2-dicarboxamide CAS Name: N2-(5-chloro-2-pyridinyl)-1-hydroxy-N1-(2-propan-2-ylphenyl)piperidin-1-ium-1,2-dicarboxamide IUPAC Name: 2-N-(5-chloropyridin-2-yl)-1-hydroxy-1-N-(2-propan-2-ylphenyl)piperidin-1-ium-1,2-dicarboxamide Traditional Name: N'-(5-chloro-2-pyridyl)-1-hydroxy-N-o-cumenyl-piperidin-1-ium-1,2-dicarboxamide Formula: C21H26ClN4O3+ MolecularWeight: 417.90914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)[N+]2(CCCCC2C(=O)NC3=NC=C(C=C3)Cl)O

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)[N+]2(CCCCC2C(=O)NC3=NC=C(C=C3)Cl)O

InChI

InChI=1S/C21H25ClN4O3/c1-14(2)16-7-3-4-8-17(16)24-21(28)26(29)12-6-5-9-18(26)20(27)25-19-11-10-15(22)13-23-19/h3-4,7-8,10-11,13-14,18,29H,5-6,9,12H2,1-2H3,(H-,23,24,25,27,28)/p+1