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

Systemtic Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-[2-(4-fluorophenyl)ethanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-[2-(4-fluorophenyl)acetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-[2-(4-fluorophenyl)-1-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-[2-(4-fluorophenyl)acetyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(4-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=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)CC3=CC=C(C=C3)F

InChI

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