4-(2-methylpiperidin-1-ium-1-yl)-1-phenyl-butan-1-one chloride

Systemtic Name: 4-(2-methylpiperidin-1-ium-1-yl)-1-phenyl-butan-1-one chloride Openeye Name: 4-(2-methylpiperidin-1-ium-1-yl)-1-phenyl-butan-1-one chloride CAS Name: 4-(2-methyl-1-piperidin-1-iumyl)-1-phenyl-1-butanone chloride IUPAC Name: 4-(2-methylpiperidin-1-ium-1-yl)-1-phenylbutan-1-one chloride Traditional Name: 4-(2-methylpiperidin-1-ium-1-yl)-1-phenyl-butan-1-one chloride Formula: C16H24ClNO MolecularWeight: 281.82086

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCC(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC1CCCC[NH+]1CCCC(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C16H23NO.ClH/c1-14-8-5-6-12-17(14)13-7-11-16(18)15-9-3-2-4-10-15;/h2-4,9-10,14H,5-8,11-13H2,1H3;1H