ethyl 1-[2-[[(1R)-2-methyl-1-phenyl-propyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[[(1R)-2-methyl-1-phenyl-propyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[[(1R)-2-methyl-1-phenyl-propyl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[(1R)-2-methyl-1-phenylpropyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[(1R)-2-methyl-1-phenylpropyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[[(1R)-2-methyl-1-phenyl-propyl]amino]ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H31N2O3+ MolecularWeight: 347.47174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O3/c1-4-25-20(24)17-10-12-22(13-11-17)14-18(23)21-19(15(2)3)16-8-6-5-7-9-16/h5-9,15,17,19H,4,10-14H2,1-3H3,(H,21,23)/p+1/t19-/m1/s1