3-[(6-fluoranyl-1,3-benzothiazol-2-yl)-[4-(phenylmethyl)phenyl]carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6-fluoranyl-1,3-benzothiazol-2-yl)-[4-(phenylmethyl)phenyl]carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-benzylbenzoyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-fluoro-1,3-benzothiazol-2-yl)-[oxo-[4-(phenylmethyl)phenyl]methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-benzylbenzoyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-benzylbenzoyl)-(6-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(S1)C=C(C=C2)F)C(=O)C3=CC=C(C=C3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=CC=C(C=C3)CC4=CC=CC=C4

InChI

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