ethyl (3S)-1-[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(2-isopropylanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(2-isopropylanilino)-2-keto-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)CC(=O)NC2=CC=CC=C2C(C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=CC=CC=C2C(C)C

InChI

InChI=1S/C19H28N2O3/c1-4-24-19(23)15-8-7-11-21(12-15)13-18(22)20-17-10-6-5-9-16(17)14(2)3/h5-6,9-10,14-15H,4,7-8,11-13H2,1-3H3,(H,20,22)/p+1/t15-/m0/s1