(4-ethanoyl-1-methyl-piperidin-1-ium-4-yl) benzoate chloride

Systemtic Name: (4-ethanoyl-1-methyl-piperidin-1-ium-4-yl) benzoate chloride Openeye Name: (4-acetyl-1-methyl-piperidin-1-ium-4-yl) benzoate chloride CAS Name: benzoic acid (4-acetyl-1-methyl-4-piperidin-1-iumyl) ester chloride IUPAC Name: (4-acetyl-1-methylpiperidin-1-ium-4-yl) benzoate chloride Traditional Name: benzoic acid (4-acetyl-1-methyl-piperidin-1-ium-4-yl) ester chloride Formula: C15H20ClNO3 MolecularWeight: 297.7772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CC[NH+](CC1)C)OC(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC(=O)C1(CC[NH+](CC1)C)OC(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C15H19NO3.ClH/c1-12(17)15(8-10-16(2)11-9-15)19-14(18)13-6-4-3-5-7-13;/h3-7H,8-11H2,1-2H3;1H