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

Systemtic Name: 2-[(3-chlorophenyl)carbonyl-(6-fluoranyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-chlorobenzoyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-chlorophenyl)-oxomethyl]-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-chlorobenzoyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(3-chlorobenzoyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C18H18ClFN3OS+ MolecularWeight: 378.871423

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClFN3OS/c1-22(2)8-9-23(17(24)12-4-3-5-13(19)10-12)18-21-15-7-6-14(20)11-16(15)25-18/h3-7,10-11H,8-9H2,1-2H3/p+1