(1-methylpiperidin-1-ium-3-yl) 4-tert-butylbenzoate chloride

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2CCC[NH+](C2)C.[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2CCC[NH+](C2)C.[Cl-]

InChI

InChI=1S/C17H25NO2.ClH/c1-17(2,3)14-9-7-13(8-10-14)16(19)20-15-6-5-11-18(4)12-15;/h7-10,15H,5-6,11-12H2,1-4H3;1H