2-[1,3-benzothiazol-2-yl-(5-nitrofuran-2-yl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[1,3-benzothiazol-2-yl-(5-nitrofuran-2-yl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-(5-nitrofuran-2-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[(5-nitro-2-furanyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-(5-nitrofuran-2-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-(5-nitro-2-furoyl)amino]ethyl-dimethyl-ammonium Formula: C16H17N4O4S+ MolecularWeight: 361.39558

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O4S/c1-18(2)9-10-19(15(21)12-7-8-14(24-12)20(22)23)16-17-11-5-3-4-6-13(11)25-16/h3-8H,9-10H2,1-2H3/p+1