(2S)-2-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoylamino]propanoate

Systemtic Name: (2S)-2-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoylamino]propanoate Openeye Name: (2S)-2-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]propanoate CAS Name: (2S)-2-[[1-oxo-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethyl]amino]propanoate IUPAC Name: (2S)-2-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]propanoate Traditional Name: (2S)-2-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]propionate Formula: C17H24N2O3 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)C[NH+]1CCC(CC1)CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)[O-])NC(=O)C[NH+]1CCC(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C17H24N2O3/c1-13(17(21)22)18-16(20)12-19-9-7-15(8-10-19)11-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,18,20)(H,21,22)/t13-/m0/s1