[2,6-di(propan-2-yl)phenyl] piperidin-1-ium-4-carboxylate chloride

Systemtic Name: [2,6-di(propan-2-yl)phenyl] piperidin-1-ium-4-carboxylate chloride Openeye Name: (2,6-diisopropylphenyl) piperidin-1-ium-4-carboxylate chloride CAS Name: 4-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-4-carboxylate chloride Traditional Name: piperidin-1-ium-4-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)C2CC[NH2+]CC2.[Cl-]

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)OC(=O)C2CC[NH2+]CC2.[Cl-]

InChI

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