1-[2-oxidanylidene-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-oxidanylidene-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-(2-oxo-2-tetralin-6-yl-ethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(2-keto-2-tetralin-6-yl-ethyl)piperidin-1-ium-4-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+]3CCC(CC3)C(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)C(=O)C[NH+]3CCC(CC3)C(=O)[O-]

InChI

InChI=1S/C18H23NO3/c20-17(12-19-9-7-14(8-10-19)18(21)22)16-6-5-13-3-1-2-4-15(13)11-16/h5-6,11,14H,1-4,7-10,12H2,(H,21,22)