4-oxidanyl-4-quinolin-1-ium-2-yl-butan-2-one chloride

Systemtic Name: 4-oxidanyl-4-quinolin-1-ium-2-yl-butan-2-one chloride Openeye Name: 4-hydroxy-4-quinolin-1-ium-2-yl-butan-2-one chloride CAS Name: 4-hydroxy-4-(2-quinolin-1-iumyl)-2-butanone chloride IUPAC Name: 4-hydroxy-4-quinolin-1-ium-2-ylbutan-2-one chloride Traditional Name: 4-hydroxy-4-quinolin-1-ium-2-yl-butan-2-one chloride Formula: C13H14ClNO2 MolecularWeight: 251.70876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C1=[NH+]C2=CC=CC=C2C=C1)O.[Cl-]

Isomeric SMILES

CC(=O)CC(C1=[NH+]C2=CC=CC=C2C=C1)O.[Cl-]

InChI

InChI=1S/C13H13NO2.ClH/c1-9(15)8-13(16)12-7-6-10-4-2-3-5-11(10)14-12;/h2-7,13,16H,8H2,1H3;1H