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

Systemtic Name: (3S)-1-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-oxo-2-(4-phenylphenyl)ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-oxo-2-(4-phenylphenyl)ethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-oxo-2-(4-phenylphenyl)ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(4-phenylphenyl)ethyl]piperidin-1-ium-3-carboxylate Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C20H21NO3/c22-19(14-21-12-4-7-18(13-21)20(23)24)17-10-8-16(9-11-17)15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-14H2,(H,23,24)/t18-/m0/s1