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

Systemtic Name: 2-[(4-chloranyl-1,3-benzothiazol-2-yl)-(2-fluorophenyl)carbonyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)-(2-fluorobenzoyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)-[(2-fluorophenyl)-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)-(2-fluorobenzoyl)amino]ethyl-diethylazanium Traditional Name: 2-[(4-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=CC=C2Cl)C(=O)C3=CC=CC=C3F

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=CC=C2Cl)C(=O)C3=CC=CC=C3F

InChI

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