[1-methyl-3-(phenylcarbonyl)piperidin-1-ium-3-yl] 2-chloranylbenzoate chloride

Systemtic Name: [1-methyl-3-(phenylcarbonyl)piperidin-1-ium-3-yl] 2-chloranylbenzoate chloride Openeye Name: (3-benzoyl-1-methyl-piperidin-1-ium-3-yl) 2-chlorobenzoate chloride CAS Name: 2-chlorobenzoic acid (3-benzoyl-1-methyl-3-piperidin-1-iumyl) ester chloride IUPAC Name: (3-benzoyl-1-methylpiperidin-1-ium-3-yl) 2-chlorobenzoate chloride Traditional Name: 2-chlorobenzoic acid (3-benzoyl-1-methyl-piperidin-1-ium-3-yl) ester chloride Formula: C20H21Cl2NO3 MolecularWeight: 394.29164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3Cl.[Cl-]

Isomeric SMILES

C[NH+]1CCCC(C1)(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3Cl.[Cl-]

InChI

InChI=1S/C20H20ClNO3.ClH/c1-22-13-7-12-20(14-22,18(23)15-8-3-2-4-9-15)25-19(24)16-10-5-6-11-17(16)21;/h2-6,8-11H,7,12-14H2,1H3;1H