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

Systemtic Name: 3-[(4-ethanoylphenyl)carbonyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-acetylbenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-acetylphenyl)-oxomethyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-acetylbenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-acetylbenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C21H23FN3O2S+ MolecularWeight: 400.489623

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(C=CC=C3S2)F

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(C=CC=C3S2)F

InChI

InChI=1S/C21H22FN3O2S/c1-14(26)15-8-10-16(11-9-15)20(27)25(13-5-12-24(2)3)21-23-19-17(22)6-4-7-18(19)28-21/h4,6-11H,5,12-13H2,1-3H3/p+1