[2-oxidanylidene-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-oxo-2-[[(1S)-tetralin-1-yl]amino]ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-keto-2-[[(1S)-tetralin-1-yl]amino]ethyl] ester Formula: C18H18N2O4 MolecularWeight: 326.34652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CC=CC=C2C1)NC(=O)COC(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1C[C@@H](C2=CC=CC=C2C1)NC(=O)COC(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C18H18N2O4/c21-17(12-24-18(22)16-10-3-4-11-20(16)23)19-15-9-5-7-13-6-1-2-8-14(13)15/h1-4,6,8,10-11,15H,5,7,9,12H2,(H,19,21)/t15-/m0/s1