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

Systemtic Name: 3-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl-(6-fluoranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(3-chlorobenzothiophene-2-carbonyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(3-chloro-1-benzothiophene-2-carbonyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(3-chlorobenzothiophene-2-carbonyl)-(6-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C21H20ClFN3OS2+ MolecularWeight: 448.984403

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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=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)F)C(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H19ClFN3OS2/c1-25(2)10-5-11-26(21-24-15-9-8-13(23)12-17(15)29-21)20(27)19-18(22)14-6-3-4-7-16(14)28-19/h3-4,6-9,12H,5,10-11H2,1-2H3/p+1