methyl 1-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 1-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]pyridin-1-ium-3-carboxylate Openeye Name: methyl 1-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl]pyridin-1-ium-3-carboxylic acid methyl ester Formula: C17H19N2O3+ MolecularWeight: 299.34436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C[N+]2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)C[N+]2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C17H18N2O3/c1-13(14-7-4-3-5-8-14)18-16(20)12-19-10-6-9-15(11-19)17(21)22-2/h3-11,13H,12H2,1-2H3/p+1/t13-/m1/s1