2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(3-fluorophenyl)carbonyl-amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(3-fluorophenyl)carbonyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(3-fluorobenzoyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-[(3-fluorophenyl)-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(3-fluorobenzoyl)amino]ethyl-diethylazanium Traditional Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(3-fluorobenzoyl)amino]ethyl-diethyl-ammonium Formula: C22H27FN3OS+ MolecularWeight: 400.532683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FN3OS/c1-5-25(6-2)10-11-26(21(27)17-8-7-9-18(23)14-17)22-24-19-12-15(3)16(4)13-20(19)28-22/h7-9,12-14H,5-6,10-11H2,1-4H3/p+1