3-[(4-fluoranyl-1,3-benzothiazol-2-yl)-[4-(phenylmethyl)phenyl]carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-fluoranyl-1,3-benzothiazol-2-yl)-[4-(phenylmethyl)phenyl]carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-benzylbenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-fluoro-1,3-benzothiazol-2-yl)-[oxo-[4-(phenylmethyl)phenyl]methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-benzylbenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-benzylbenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C26H27FN3OS+ MolecularWeight: 448.575483

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=CC=C(C=C3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=CC=C(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H26FN3OS/c1-29(2)16-7-17-30(26-28-24-22(27)10-6-11-23(24)32-26)25(31)21-14-12-20(13-15-21)18-19-8-4-3-5-9-19/h3-6,8-15H,7,16-18H2,1-2H3/p+1