(2R)-1-[(2R)-2-methyl-2-oxidanyl-4-phenyl-but-3-ynyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2R)-1-[(2R)-2-methyl-2-oxidanyl-4-phenyl-but-3-ynyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2R)-1-[(2R)-2-hydroxy-2-methyl-4-phenyl-but-3-ynyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(2R)-2-hydroxy-2-methyl-4-phenylbut-3-ynyl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2R)-1-[(2R)-2-hydroxy-2-methyl-4-phenylbut-3-ynyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[(2R)-2-hydroxy-2-methyl-4-phenyl-but-3-ynyl]pyrrolidin-1-ium-2-carboxylate Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCC1C(=O)[O-])(C#CC2=CC=CC=C2)O

Isomeric SMILES

C[C@](C[NH+]1CCC[C@@H]1C(=O)[O-])(C#CC2=CC=CC=C2)O

InChI

InChI=1S/C16H19NO3/c1-16(20,10-9-13-6-3-2-4-7-13)12-17-11-5-8-14(17)15(18)19/h2-4,6-7,14,20H,5,8,11-12H2,1H3,(H,18,19)/t14-,16-/m1/s1