(3S)-1-[2-oxidanylidene-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[2-oxidanylidene-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-(2-oxo-2-tetralin-6-yl-ethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(2-keto-2-tetralin-6-yl-ethyl)piperidin-1-ium-3-carboxylate Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)C(=O)C[NH+]3CCCC(C3)C(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)C(=O)C[NH+]3CCC[C@@H](C3)C(=O)[O-]

InChI

InChI=1S/C18H23NO3/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/h7-8,10,16H,1-6,9,11-12H2,(H,21,22)/t16-/m0/s1