(1-methylpiperidin-1-ium-4-yl) 3-chloranylbenzoate chloride

Systemtic Name: (1-methylpiperidin-1-ium-4-yl) 3-chloranylbenzoate chloride Openeye Name: (1-methylpiperidin-1-ium-4-yl) 3-chlorobenzoate chloride CAS Name: 3-chlorobenzoic acid (1-methyl-4-piperidin-1-iumyl) ester chloride IUPAC Name: (1-methylpiperidin-1-ium-4-yl) 3-chlorobenzoate chloride Traditional Name: 3-chlorobenzoic acid (1-methylpiperidin-1-ium-4-yl) ester chloride Formula: C13H17Cl2NO2 MolecularWeight: 290.18558

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)OC(=O)C2=CC(=CC=C2)Cl.[Cl-]

Isomeric SMILES

C[NH+]1CCC(CC1)OC(=O)C2=CC(=CC=C2)Cl.[Cl-]

InChI

InChI=1S/C13H16ClNO2.ClH/c1-15-7-5-12(6-8-15)17-13(16)10-3-2-4-11(14)9-10;/h2-4,9,12H,5-8H2,1H3;1H