methyl 1-[(2S)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(2S)-1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(1S)-1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1S)-2-keto-2-mesidino-1-methyl-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C19H29N2O3+ MolecularWeight: 333.44516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O3/c1-12-10-13(2)17(14(3)11-12)20-18(22)15(4)21-8-6-16(7-9-21)19(23)24-5/h10-11,15-16H,6-9H2,1-5H3,(H,20,22)/p+1/t15-/m0/s1