3-[(6-bromanyl-1,3-benzothiazol-2-yl)-(4-fluorophenyl)carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6-bromanyl-1,3-benzothiazol-2-yl)-(4-fluorophenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-bromo-1,3-benzothiazol-2-yl)-(4-fluorobenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-bromo-1,3-benzothiazol-2-yl)-[(4-fluorophenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-bromo-1,3-benzothiazol-2-yl)-(4-fluorobenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-bromo-1,3-benzothiazol-2-yl)-(4-fluorobenzoyl)amino]propyl-dimethyl-ammonium Formula: C19H20BrFN3OS+ MolecularWeight: 437.349003

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)Br)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)Br)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H19BrFN3OS/c1-23(2)10-3-11-24(18(25)13-4-7-15(21)8-5-13)19-22-16-9-6-14(20)12-17(16)26-19/h4-9,12H,3,10-11H2,1-2H3/p+1