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

Systemtic Name: 2-[(6-fluoranyl-1,3-benzothiazol-2-yl)-(3-nitrophenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-fluoro-1,3-benzothiazol-2-yl)-(3-nitrobenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-fluoro-1,3-benzothiazol-2-yl)-[(3-nitrophenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-fluoro-1,3-benzothiazol-2-yl)-(3-nitrobenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-fluoro-1,3-benzothiazol-2-yl)-(3-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)8-9-22(17(24)12-4-3-5-14(10-12)23(25)26)18-20-15-7-6-13(19)11-16(15)27-18/h3-7,10-11H,8-9H2,1-2H3/p+1