1-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(2-keto-2-mesidino-ethyl)piperidin-1-ium-4-carboxylate Formula: C17H24N2O3 MolecularWeight: 304.38406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+]2CCC(CC2)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+]2CCC(CC2)C(=O)[O-])C

InChI

InChI=1S/C17H24N2O3/c1-11-8-12(2)16(13(3)9-11)18-15(20)10-19-6-4-14(5-7-19)17(21)22/h8-9,14H,4-7,10H2,1-3H3,(H,18,20)(H,21,22)