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

Systemtic Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(4-fluorophenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(4-fluorobenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-[(4-fluorophenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(4-fluorobenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(4-fluorobenzoyl)amino]ethyl-dimethyl-ammonium Formula: C20H23FN3O2S+ MolecularWeight: 388.478923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O2S/c1-4-26-16-6-5-7-17-18(16)22-20(27-17)24(13-12-23(2)3)19(25)14-8-10-15(21)11-9-14/h5-11H,4,12-13H2,1-3H3/p+1