3-piperidin-1-ium-1-ylpropyl benzoate chloride

Systemtic Name: 3-piperidin-1-ium-1-ylpropyl benzoate chloride Openeye Name: 3-piperidin-1-ium-1-ylpropyl benzoate chloride CAS Name: benzoic acid 3-(1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-piperidin-1-ium-1-ylpropyl benzoate chloride Traditional Name: benzoic acid 3-piperidin-1-ium-1-ylpropyl ester chloride Formula: C15H22ClNO2 MolecularWeight: 283.79368

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCOC(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CCCOC(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C15H21NO2.ClH/c17-15(14-8-3-1-4-9-14)18-13-7-12-16-10-5-2-6-11-16;/h1,3-4,8-9H,2,5-7,10-13H2;1H