3-[[(2S,4S)-4-sulfanylpyrrolidin-1-ium-2-yl]carbonylamino]benzoic acid chloride

Systemtic Name: 3-[[(2S,4S)-4-sulfanylpyrrolidin-1-ium-2-yl]carbonylamino]benzoic acid chloride Openeye Name: 3-[[(2S,4S)-4-sulfanylpyrrolidin-1-ium-2-carbonyl]amino]benzoic acid chloride CAS Name: 3-[[[(2S,4S)-4-mercapto-2-pyrrolidin-1-iumyl]-oxomethyl]amino]benzoic acid chloride IUPAC Name: 3-[[(2S,4S)-4-sulfanylpyrrolidin-1-ium-2-carbonyl]amino]benzoic acid chloride Traditional Name: 3-[[(2S,4S)-4-mercaptopyrrolidin-1-ium-2-carbonyl]amino]benzoic acid chloride Formula: C12H15ClN2O3S MolecularWeight: 302.7771

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH2+]C1C(=O)NC2=CC=CC(=C2)C(=O)O)S.[Cl-]

Isomeric SMILES

C1[C@@H](C[NH2+][C@@H]1C(=O)NC2=CC=CC(=C2)C(=O)O)S.[Cl-]

InChI

InChI=1S/C12H14N2O3S.ClH/c15-11(10-5-9(18)6-13-10)14-8-3-1-2-7(4-8)12(16)17;/h1-4,9-10,13,18H,5-6H2,(H,14,15)(H,16,17);1H/t9-,10-;/m0./s1