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

Systemtic Name: 2-[(4-ethoxyphenyl)carbonyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(4-ethoxybenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[(4-ethoxyphenyl)-oxomethyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[(4-ethoxybenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[(4-ethoxybenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium Formula: C22H27FN3O2S+ MolecularWeight: 416.532083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FN3O2S/c1-4-25(5-2)14-15-26(21(27)16-10-12-17(13-11-16)28-6-3)22-24-20-18(23)8-7-9-19(20)29-22/h7-13H,4-6,14-15H2,1-3H3/p+1