(4-ethynyl-1,2,5-trimethyl-piperidin-1-ium-4-yl) benzoate chloride

Systemtic Name: (4-ethynyl-1,2,5-trimethyl-piperidin-1-ium-4-yl) benzoate chloride Openeye Name: (4-ethynyl-1,2,5-trimethyl-piperidin-1-ium-4-yl) benzoate chloride CAS Name: benzoic acid (4-ethynyl-1,2,5-trimethyl-4-piperidin-1-iumyl) ester chloride IUPAC Name: (4-ethynyl-1,2,5-trimethylpiperidin-1-ium-4-yl) benzoate chloride Traditional Name: benzoic acid (4-ethynyl-1,2,5-trimethyl-piperidin-1-ium-4-yl) ester chloride Formula: C17H22ClNO2 MolecularWeight: 307.81508

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C[NH+]1C)C)(C#C)OC(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC1CC(C(C[NH+]1C)C)(C#C)OC(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C17H21NO2.ClH/c1-5-17(11-14(3)18(4)12-13(17)2)20-16(19)15-9-7-6-8-10-15;/h1,6-10,13-14H,11-12H2,2-4H3;1H