ethyl (3S)-1-[(2S)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2S)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(1S)-1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1S)-2-keto-1-methyl-2-[(4-methylbenzyl)amino]ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H29N2O3+ MolecularWeight: 333.44516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)C(C)C(=O)NCC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)[C@@H](C)C(=O)NCC2=CC=C(C=C2)C

InChI

InChI=1S/C19H28N2O3/c1-4-24-19(23)17-6-5-11-21(13-17)15(3)18(22)20-12-16-9-7-14(2)8-10-16/h7-10,15,17H,4-6,11-13H2,1-3H3,(H,20,22)/p+1/t15-,17-/m0/s1