2-[(4-chloranyl-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-yl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-chloranyl-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-yl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)-[(5-nitro-2-furanyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)-(5-nitrofuran-2-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)-(5-nitro-2-furoyl)amino]ethyl-dimethyl-ammonium Formula: C16H16ClN4O4S+ MolecularWeight: 395.84064

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(S1)C=CC=C2Cl)C(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=CC=C2Cl)C(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C16H15ClN4O4S/c1-19(2)8-9-20(15(22)11-6-7-13(25-11)21(23)24)16-18-14-10(17)4-3-5-12(14)26-16/h3-7H,8-9H2,1-2H3/p+1