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

Systemtic Name: 2-[(4-fluoranyl-1,3-benzothiazol-2-yl)-(5-nitrothiophen-2-yl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-fluoro-1,3-benzothiazol-2-yl)-(5-nitrothiophene-2-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4-fluoro-1,3-benzothiazol-2-yl)-[(5-nitro-2-thiophenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-fluoro-1,3-benzothiazol-2-yl)-(5-nitrothiophene-2-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-fluoro-1,3-benzothiazol-2-yl)-(5-nitrothiophene-2-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C16H16FN4O3S2+ MolecularWeight: 395.451643

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C16H15FN4O3S2/c1-19(2)8-9-20(15(22)12-6-7-13(25-12)21(23)24)16-18-14-10(17)4-3-5-11(14)26-16/h3-7H,8-9H2,1-2H3/p+1