(2R)-4-(4-tert-butylphenyl)-4-oxidanylidene-2-pyrrolidin-1-ium-1-yl-butanoate

Systemtic Name: (2R)-4-(4-tert-butylphenyl)-4-oxidanylidene-2-pyrrolidin-1-ium-1-yl-butanoate Openeye Name: (2R)-4-(4-tert-butylphenyl)-4-oxo-2-pyrrolidin-1-ium-1-yl-butanoate CAS Name: (2R)-4-(4-tert-butylphenyl)-4-oxo-2-(1-pyrrolidin-1-iumyl)butanoate IUPAC Name: (2R)-4-(4-tert-butylphenyl)-4-oxo-2-pyrrolidin-1-ium-1-ylbutanoate Traditional Name: (2R)-4-(4-tert-butylphenyl)-4-keto-2-pyrrolidin-1-ium-1-yl-butyrate Formula: C18H25NO3 MolecularWeight: 303.396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CC(C(=O)[O-])[NH+]2CCCC2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C[C@H](C(=O)[O-])[NH+]2CCCC2

InChI

InChI=1S/C18H25NO3/c1-18(2,3)14-8-6-13(7-9-14)16(20)12-15(17(21)22)19-10-4-5-11-19/h6-9,15H,4-5,10-12H2,1-3H3,(H,21,22)/t15-/m1/s1