(2S)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)propanoate

Systemtic Name: (2S)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)propanoate Openeye Name: (2S)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]propanoate CAS Name: (2S)-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]propanoate IUPAC Name: (2S)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]propanoate Traditional Name: (2S)-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]propionate Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])[NH+]1CCN(CC1)C(=O)C2=CC=CS2

Isomeric SMILES

C[C@@H](C(=O)[O-])[NH+]1CCN(CC1)C(=O)C2=CC=CS2

InChI

InChI=1S/C12H16N2O3S/c1-9(12(16)17)13-4-6-14(7-5-13)11(15)10-3-2-8-18-10/h2-3,8-9H,4-7H2,1H3,(H,16,17)/t9-/m0/s1