(4-nitrophenyl)azanium; 4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonate

Systemtic Name: (4-nitrophenyl)azanium; 4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonate Openeye Name: (4-nitrophenyl)ammonium; 4-(2-oxopyrrolidin-1-yl)benzenesulfonate CAS Name: (4-nitrophenyl)ammonium; 4-(2-oxo-1-pyrrolidinyl)benzenesulfonate IUPAC Name: (4-nitrophenyl)azanium; 4-(2-oxopyrrolidin-1-yl)benzenesulfonate Traditional Name: 4-(2-ketopyrrolidino)besylate; (4-nitrophenyl)ammonium Formula: C16H17N3O6S MolecularWeight: 379.38768

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)[O-].C1=CC(=CC=C1[NH3+])[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)[O-].C1=CC(=CC=C1[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C10H11NO4S.C6H6N2O2/c12-10-2-1-7-11(10)8-3-5-9(6-4-8)16(13,14)15;7-5-1-3-6(4-2-5)8(9)10/h3-6H,1-2,7H2,(H,13,14,15);1-4H,7H2