methyl 1-[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C18H27N2O3+ MolecularWeight: 319.41858

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C[NH+]1CCC(CC1)C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

C[C@H](CNC(=O)C[NH+]1CCC(CC1)C(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C18H26N2O3/c1-14(15-6-4-3-5-7-15)12-19-17(21)13-20-10-8-16(9-11-20)18(22)23-2/h3-7,14,16H,8-13H2,1-2H3,(H,19,21)/p+1/t14-/m1/s1