3-[(6-fluoranyl-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6-fluoranyl-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-fluoro-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-fluoro-1,3-benzothiazol-2-yl)-(1-oxo-3-phenylpropyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(6-fluoro-1,3-benzothiazol-2-yl)-(3-phenylpropanoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-fluoro-1,3-benzothiazol-2-yl)-hydrocinnamoyl-amino]propyl-dimethyl-ammonium Formula: C21H25FN3OS+ MolecularWeight: 386.506103

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H24FN3OS/c1-24(2)13-6-14-25(20(26)12-9-16-7-4-3-5-8-16)21-23-18-11-10-17(22)15-19(18)27-21/h3-5,7-8,10-11,15H,6,9,12-14H2,1-2H3/p+1