2-[(6-fluoranyl-1,3-benzothiazol-2-yl)-(2-nitrophenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6-fluoranyl-1,3-benzothiazol-2-yl)-(2-nitrophenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-fluoro-1,3-benzothiazol-2-yl)-(2-nitrobenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-fluoro-1,3-benzothiazol-2-yl)-[(2-nitrophenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-fluoro-1,3-benzothiazol-2-yl)-(2-nitrobenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-fluoro-1,3-benzothiazol-2-yl)-(2-nitrobenzoyl)amino]ethyl-dimethyl-ammonium Formula: C18H18FN4O3S+ MolecularWeight: 389.423923

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H17FN4O3S/c1-21(2)9-10-22(17(24)13-5-3-4-6-15(13)23(25)26)18-20-14-8-7-12(19)11-16(14)27-18/h3-8,11H,9-10H2,1-2H3/p+1