(3S)-1-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-(2-naphthalen-2-yl-2-oxidanylidene-ethyl)piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-(2-naphthyl)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(2-naphthalenyl)-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-(2-naphthalen-2-yl-2-oxoethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(2-naphthyl)ethyl]piperidin-1-ium-3-carboxylate Formula: C18H19NO3 MolecularWeight: 297.34836

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)C2=CC3=CC=CC=C3C=C2)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)C2=CC3=CC=CC=C3C=C2)C(=O)[O-]

InChI

InChI=1S/C18H19NO3/c20-17(12-19-9-3-6-16(11-19)18(21)22)15-8-7-13-4-1-2-5-14(13)10-15/h1-2,4-5,7-8,10,16H,3,6,9,11-12H2,(H,21,22)/t16-/m0/s1