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

Systemtic Name: 3-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-fluorophenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-fluorobenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-ethoxy-1,3-benzothiazol-2-yl)-[(2-fluorophenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-fluorobenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-fluorobenzoyl)amino]propyl-dimethyl-ammonium Formula: C21H25FN3O2S+ MolecularWeight: 402.505503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC=CC=C3F

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC=CC=C3F

InChI

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