[1-(2-ethoxyethyl)-3-methyl-piperidin-1-ium-4-yl] benzoate chloride

Systemtic Name: [1-(2-ethoxyethyl)-3-methyl-piperidin-1-ium-4-yl] benzoate chloride Openeye Name: [1-(2-ethoxyethyl)-3-methyl-piperidin-1-ium-4-yl] benzoate chloride CAS Name: benzoic acid [1-(2-ethoxyethyl)-3-methyl-4-piperidin-1-iumyl] ester chloride IUPAC Name: [1-(2-ethoxyethyl)-3-methylpiperidin-1-ium-4-yl] benzoate chloride Traditional Name: benzoic acid [1-(2-ethoxyethyl)-3-methyl-piperidin-1-ium-4-yl] ester chloride Formula: C17H26ClNO3 MolecularWeight: 327.84624

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC[NH+]1CCC(C(C1)C)OC(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCOCC[NH+]1CCC(C(C1)C)OC(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C17H25NO3.ClH/c1-3-20-12-11-18-10-9-16(14(2)13-18)21-17(19)15-7-5-4-6-8-15;/h4-8,14,16H,3,9-13H2,1-2H3;1H