2-[(2,5-dimethylphenyl)carbonyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(2,5-dimethylphenyl)carbonyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(2,5-dimethylbenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[(2,5-dimethylphenyl)-oxomethyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[(2,5-dimethylbenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[(2,5-dimethylbenzoyl)-(4-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(C=CC=C2S1)F)C(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=C(C=CC(=C3)C)C

InChI

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