3-(4-methylpiperidin-1-ium-1-yl)butyl benzoate chloride

Systemtic Name: 3-(4-methylpiperidin-1-ium-1-yl)butyl benzoate chloride Openeye Name: 3-(4-methylpiperidin-1-ium-1-yl)butyl benzoate chloride CAS Name: benzoic acid 3-(4-methyl-1-piperidin-1-iumyl)butyl ester chloride IUPAC Name: 3-(4-methylpiperidin-1-ium-1-yl)butyl benzoate chloride Traditional Name: benzoic acid 3-(4-methylpiperidin-1-ium-1-yl)butyl ester chloride Formula: C17H26ClNO2 MolecularWeight: 311.84684

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(C)CCOC(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC1CC[NH+](CC1)C(C)CCOC(=O)C2=CC=CC=C2.[Cl-]

InChI

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