1-piperidin-1-ium-1-ylpropan-2-yl 2-chloranylbenzoate chloride

Systemtic Name: 1-piperidin-1-ium-1-ylpropan-2-yl 2-chloranylbenzoate chloride Openeye Name: (1-methyl-2-piperidin-1-ium-1-yl-ethyl) 2-chlorobenzoate chloride CAS Name: 2-chlorobenzoic acid 1-(1-piperidin-1-iumyl)propan-2-yl ester chloride IUPAC Name: 1-piperidin-1-ium-1-ylpropan-2-yl 2-chlorobenzoate chloride Traditional Name: 2-chlorobenzoic acid (1-methyl-2-piperidin-1-ium-1-yl-ethyl) ester chloride Formula: C15H21Cl2NO2 MolecularWeight: 318.23874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)OC(=O)C2=CC=CC=C2Cl.[Cl-]

Isomeric SMILES

CC(C[NH+]1CCCCC1)OC(=O)C2=CC=CC=C2Cl.[Cl-]

InChI

InChI=1S/C15H20ClNO2.ClH/c1-12(11-17-9-5-2-6-10-17)19-15(18)13-7-3-4-8-14(13)16;/h3-4,7-8,12H,2,5-6,9-11H2,1H3;1H