4-methyl-2-(pyridin-1-ium-3-ylcarbonylamino)pentanoic acid chloride

Systemtic Name: 4-methyl-2-(pyridin-1-ium-3-ylcarbonylamino)pentanoic acid chloride Openeye Name: 4-methyl-2-(pyridin-1-ium-3-carbonylamino)pentanoic acid chloride CAS Name: 4-methyl-2-[[oxo(3-pyridin-1-iumyl)methyl]amino]pentanoic acid chloride IUPAC Name: 4-methyl-2-(pyridin-1-ium-3-carbonylamino)pentanoic acid chloride Traditional Name: 4-methyl-2-(pyridin-1-ium-3-carbonylamino)valeric acid chloride Formula: C12H17ClN2O3 MolecularWeight: 272.72798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=C[NH+]=CC=C1.[Cl-]

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=C[NH+]=CC=C1.[Cl-]

InChI

InChI=1S/C12H16N2O3.ClH/c1-8(2)6-10(12(16)17)14-11(15)9-4-3-5-13-7-9;/h3-5,7-8,10H,6H2,1-2H3,(H,14,15)(H,16,17);1H