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

Systemtic Name: (2R)-4-(4-tert-butylphenyl)-4-oxidanylidene-2-piperidin-1-ium-1-yl-butanoate Openeye Name: (2R)-4-(4-tert-butylphenyl)-4-oxo-2-piperidin-1-ium-1-yl-butanoate CAS Name: (2R)-4-(4-tert-butylphenyl)-4-oxo-2-(1-piperidin-1-iumyl)butanoate IUPAC Name: (2R)-4-(4-tert-butylphenyl)-4-oxo-2-piperidin-1-ium-1-ylbutanoate Traditional Name: (2R)-4-(4-tert-butylphenyl)-4-keto-2-piperidin-1-ium-1-yl-butyrate Formula: C19H27NO3 MolecularWeight: 317.42258

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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+]2CCCCC2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C[C@H](C(=O)[O-])[NH+]2CCCCC2

InChI

InChI=1S/C19H27NO3/c1-19(2,3)15-9-7-14(8-10-15)17(21)13-16(18(22)23)20-11-5-4-6-12-20/h7-10,16H,4-6,11-13H2,1-3H3,(H,22,23)/t16-/m1/s1