(2S)-3-methyl-2-[[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethanoyl]amino]butanoate

Systemtic Name: (2S)-3-methyl-2-[[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethanoyl]amino]butanoate Openeye Name: (2S)-3-methyl-2-[[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-acetyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2R)-1-oxo-2-phenyl-2-(1-piperidin-1-iumyl)ethyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[[(2R)-2-phenyl-2-piperidin-1-ium-1-ylacetyl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-acetyl]amino]butyrate Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C(C1=CC=CC=C1)[NH+]2CCCCC2

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)[C@@H](C1=CC=CC=C1)[NH+]2CCCCC2

InChI

InChI=1S/C18H26N2O3/c1-13(2)15(18(22)23)19-17(21)16(14-9-5-3-6-10-14)20-11-7-4-8-12-20/h3,5-6,9-10,13,15-16H,4,7-8,11-12H2,1-2H3,(H,19,21)(H,22,23)/t15-,16+/m0/s1