ethyl 1-[(2R)-1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2R)-1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1R)-1-methyl-2-oxo-2-[4-(1-piperidyl)anilino]ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-oxo-1-[4-(1-piperidinyl)anilino]propan-2-yl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-keto-1-methyl-2-(4-piperidinoanilino)ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H34N3O3+ MolecularWeight: 388.52366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C(C)C(=O)NC2=CC=C(C=C2)N3CCCCC3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@H](C)C(=O)NC2=CC=C(C=C2)N3CCCCC3

InChI

InChI=1S/C22H33N3O3/c1-3-28-22(27)18-11-15-24(16-12-18)17(2)21(26)23-19-7-9-20(10-8-19)25-13-5-4-6-14-25/h7-10,17-18H,3-6,11-16H2,1-2H3,(H,23,26)/p+1/t17-/m1/s1