2-[(2,5-dimethylphenyl)carbonyl-(6-fluoranyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(2,5-dimethylphenyl)carbonyl-(6-fluoranyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(2,5-dimethylbenzoyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[(2,5-dimethylphenyl)-oxomethyl]-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[(2,5-dimethylbenzoyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[(2,5-dimethylbenzoyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium Formula: C22H27FN3OS+ MolecularWeight: 400.532683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FN3OS/c1-5-25(6-2)11-12-26(21(27)18-13-15(3)7-8-16(18)4)22-24-19-10-9-17(23)14-20(19)28-22/h7-10,13-14H,5-6,11-12H2,1-4H3/p+1