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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)C3=CC=CC=C3F

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)C3=CC=CC=C3F

InChI

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