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

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(3-fluorophenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(3-fluorobenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-[(3-fluorophenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(3-fluorobenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(3-fluorobenzoyl)amino]ethyl-dimethyl-ammonium Formula: C20H23FN3O2S+ MolecularWeight: 388.478923

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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)C3=CC(=CC=C3)F

Isomeric SMILES

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

InChI

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