[2,6-di(propan-2-yl)phenyl] piperidin-1-ium-3-carboxylate chloride

Systemtic Name: [2,6-di(propan-2-yl)phenyl] piperidin-1-ium-3-carboxylate chloride Openeye Name: (2,6-diisopropylphenyl) piperidin-1-ium-3-carboxylate chloride CAS Name: 3-piperidin-1-iumcarboxylic acid [2,6-di(propan-2-yl)phenyl] ester chloride IUPAC Name: [2,6-di(propan-2-yl)phenyl] piperidin-1-ium-3-carboxylate chloride Traditional Name: piperidin-1-ium-3-carboxylic acid (2,6-diisopropylphenyl) ester chloride Formula: C18H28ClNO2 MolecularWeight: 325.87342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)OC(=O)C2CCC[NH2+]C2.[Cl-]

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)OC(=O)C2CCC[NH2+]C2.[Cl-]

InChI

InChI=1S/C18H27NO2.ClH/c1-12(2)15-8-5-9-16(13(3)4)17(15)21-18(20)14-7-6-10-19-11-14;/h5,8-9,12-14,19H,6-7,10-11H2,1-4H3;1H