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

Systemtic Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-fluorophenyl)carbonyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-fluorobenzoyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-[(2-fluorophenyl)-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-fluorobenzoyl)amino]ethyl-diethylazanium Traditional Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-fluorobenzoyl)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)OCC)C(=O)C3=CC=CC=C3F

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)OCC)C(=O)C3=CC=CC=C3F

InChI

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