3-(2,5-dimethylpiperidin-1-ium-1-yl)propyl benzoate chloride

Systemtic Name: 3-(2,5-dimethylpiperidin-1-ium-1-yl)propyl benzoate chloride Openeye Name: 3-(2,5-dimethylpiperidin-1-ium-1-yl)propyl benzoate chloride CAS Name: benzoic acid 3-(2,5-dimethyl-1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-(2,5-dimethylpiperidin-1-ium-1-yl)propyl benzoate chloride Traditional Name: benzoic acid 3-(2,5-dimethylpiperidin-1-ium-1-yl)propyl ester chloride Formula: C17H26ClNO2 MolecularWeight: 311.84684

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC([NH+](C1)CCCOC(=O)C2=CC=CC=C2)C.[Cl-]

Isomeric SMILES

CC1CCC([NH+](C1)CCCOC(=O)C2=CC=CC=C2)C.[Cl-]

InChI

InChI=1S/C17H25NO2.ClH/c1-14-9-10-15(2)18(13-14)11-6-12-20-17(19)16-7-4-3-5-8-16;/h3-5,7-8,14-15H,6,9-13H2,1-2H3;1H