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

Systemtic Name: 3-[(4-fluoranyl-1,3-benzothiazol-2-yl)-(5-nitrothiophen-2-yl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-fluoro-1,3-benzothiazol-2-yl)-(5-nitrothiophene-2-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-fluoro-1,3-benzothiazol-2-yl)-[(5-nitro-2-thiophenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-fluoro-1,3-benzothiazol-2-yl)-(5-nitrothiophene-2-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-fluoro-1,3-benzothiazol-2-yl)-(5-nitrothiophene-2-carbonyl)amino]propyl-dimethyl-ammonium Formula: C17H18FN4O3S2+ MolecularWeight: 409.478223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN4O3S2/c1-20(2)9-4-10-21(16(23)13-7-8-14(26-13)22(24)25)17-19-15-11(18)5-3-6-12(15)27-17/h3,5-8H,4,9-10H2,1-2H3/p+1