(3S)-1-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-(4-tert-butylphenyl)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-(4-tert-butylphenyl)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(4-tert-butylphenyl)-2-keto-ethyl]piperidin-1-ium-3-carboxylate 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)C[NH+]2CCCC(C2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C[NH+]2CCC[C@@H](C2)C(=O)[O-]

InChI

InChI=1S/C18H25NO3/c1-18(2,3)15-8-6-13(7-9-15)16(20)12-19-10-4-5-14(11-19)17(21)22/h6-9,14H,4-5,10-12H2,1-3H3,(H,21,22)/t14-/m0/s1