(3S)-1-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(2-keto-2-mesidino-ethyl)piperidin-1-ium-3-carboxylate Formula: C17H24N2O3 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+]2CCCC(C2)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C[NH+]2CCC[C@@H](C2)C(=O)[O-])C

InChI

InChI=1S/C17H24N2O3/c1-11-7-12(2)16(13(3)8-11)18-15(20)10-19-6-4-5-14(9-19)17(21)22/h7-8,14H,4-6,9-10H2,1-3H3,(H,18,20)(H,21,22)/t14-/m0/s1