(4R)-4-oxidanyl-4-pyridin-1-ium-4-yl-butan-2-one chloride

Systemtic Name: (4R)-4-oxidanyl-4-pyridin-1-ium-4-yl-butan-2-one chloride Openeye Name: (4R)-4-hydroxy-4-pyridin-1-ium-4-yl-butan-2-one chloride CAS Name: (4R)-4-hydroxy-4-(4-pyridin-1-iumyl)-2-butanone chloride IUPAC Name: (4R)-4-hydroxy-4-pyridin-1-ium-4-ylbutan-2-one chloride Traditional Name: (4R)-4-hydroxy-4-pyridin-1-ium-4-yl-butan-2-one chloride Formula: C9H12ClNO2 MolecularWeight: 201.65008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO2.ClH/c1-7(11)6-9(12)8-2-4-10-5-3-8;/h2-5,9,12H,6H2,1H3;1H/t9-;/m1./s1