2-[(6-ethoxy-1,3-benzothiazol-2-yl)-[2-(4-fluorophenyl)ethanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-[2-(4-fluorophenyl)ethanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-[2-(4-fluorophenyl)acetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-[2-(4-fluorophenyl)-1-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-[2-(4-fluorophenyl)acetyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-[2-(4-fluorophenyl)acetyl]amino]ethyl-dimethyl-ammonium Formula: C21H25FN3O2S+ MolecularWeight: 402.505503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3O2S/c1-4-27-17-9-10-18-19(14-17)28-21(23-18)25(12-11-24(2)3)20(26)13-15-5-7-16(22)8-6-15/h5-10,14H,4,11-13H2,1-3H3/p+1