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

Systemtic Name: [2,6-di(propan-2-yl)phenyl] pyrrolidin-1-ium-2-carboxylate chloride Openeye Name: (2,6-diisopropylphenyl) pyrrolidin-1-ium-2-carboxylate chloride CAS Name: 2-pyrrolidin-1-iumcarboxylic acid [2,6-di(propan-2-yl)phenyl] ester chloride IUPAC Name: [2,6-di(propan-2-yl)phenyl] pyrrolidin-1-ium-2-carboxylate chloride Traditional Name: pyrrolidin-1-ium-2-carboxylic acid (2,6-diisopropylphenyl) ester chloride Formula: C17H26ClNO2 MolecularWeight: 311.84684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)OC(=O)C2CCC[NH2+]2.[Cl-]

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)OC(=O)C2CCC[NH2+]2.[Cl-]

InChI

InChI=1S/C17H25NO2.ClH/c1-11(2)13-7-5-8-14(12(3)4)16(13)20-17(19)15-9-6-10-18-15;/h5,7-8,11-12,15,18H,6,9-10H2,1-4H3;1H