2-azaniumylethylazanium; 2-[[3-(2-sulfanylethanoylamino)phenyl]carbonylamino]ethanoate

Systemtic Name: 2-azaniumylethylazanium; 2-[[3-(2-sulfanylethanoylamino)phenyl]carbonylamino]ethanoate Openeye Name: 2-azaniumylethylammonium; 2-[[3-[(2-sulfanylacetyl)amino]benzoyl]amino]acetate CAS Name: 2-ammonioethylammonium; 2-[[[3-[(2-mercapto-1-oxoethyl)amino]phenyl]-oxomethyl]amino]acetate IUPAC Name: 2-azaniumylethylazanium; 2-[[3-[(2-sulfanylacetyl)amino]benzoyl]amino]acetate Traditional Name: 2-ammonioethylammonium; 2-[[3-[(2-mercaptoacetyl)amino]benzoyl]amino]acetate Formula: C13H21N4O4S+ MolecularWeight: 329.39524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CS)C(=O)NCC(=O)[O-].C(C[NH3+])[NH3+]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CS)C(=O)NCC(=O)[O-].C(C[NH3+])[NH3+]

InChI

InChI=1S/C11H12N2O4S.C2H8N2/c14-9(6-18)13-8-3-1-2-7(4-8)11(17)12-5-10(15)16;3-1-2-4/h1-4,18H,5-6H2,(H,12,17)(H,13,14)(H,15,16);1-4H2/p+1