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

Systemtic Name: 2-[(3-chlorophenyl)carbonyl-(6-fluoranyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(3-chlorobenzoyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[(3-chlorophenyl)-oxomethyl]-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[(3-chlorobenzoyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[(3-chlorobenzoyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium Formula: C20H22ClFN3OS+ MolecularWeight: 406.924583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClFN3OS/c1-3-24(4-2)10-11-25(19(26)14-6-5-7-15(21)12-14)20-23-17-9-8-16(22)13-18(17)27-20/h5-9,12-13H,3-4,10-11H2,1-2H3/p+1