(2S)-2-[4-(2-thiophen-2-ylethanoyl)piperazin-1-ium-1-yl]propanoate

Systemtic Name: (2S)-2-[4-(2-thiophen-2-ylethanoyl)piperazin-1-ium-1-yl]propanoate Openeye Name: (2S)-2-[4-[2-(2-thienyl)acetyl]piperazin-1-ium-1-yl]propanoate CAS Name: (2S)-2-[4-(1-oxo-2-thiophen-2-ylethyl)-1-piperazin-1-iumyl]propanoate IUPAC Name: (2S)-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-ium-1-yl]propanoate Traditional Name: (2S)-2-[4-[2-(2-thienyl)acetyl]piperazin-1-ium-1-yl]propionate Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])[NH+]1CCN(CC1)C(=O)CC2=CC=CS2

Isomeric SMILES

C[C@@H](C(=O)[O-])[NH+]1CCN(CC1)C(=O)CC2=CC=CS2

InChI

InChI=1S/C13H18N2O3S/c1-10(13(17)18)14-4-6-15(7-5-14)12(16)9-11-3-2-8-19-11/h2-3,8,10H,4-7,9H2,1H3,(H,17,18)/t10-/m0/s1