2-[[(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenyl-ethanoyl]amino]ethanoate

Systemtic Name: 2-[[(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenyl-ethanoyl]amino]ethanoate Openeye Name: 2-[[(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenyl-acetyl]amino]acetate CAS Name: 2-[[(2R)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-oxo-2-phenylethyl]amino]acetate IUPAC Name: 2-[[(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenylacetyl]amino]acetate Traditional Name: 2-[[(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenyl-acetyl]amino]acetate Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C2=CC=CC=C2)C(=O)NCC(=O)[O-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@H](C2=CC=CC=C2)C(=O)NCC(=O)[O-]

InChI

InChI=1S/C16H22N2O3/c1-12-6-5-9-18(11-12)15(13-7-3-2-4-8-13)16(21)17-10-14(19)20/h2-4,7-8,12,15H,5-6,9-11H2,1H3,(H,17,21)(H,19,20)/t12-,15+/m0/s1