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

Systemtic Name: 3-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(3-chlorobenzothiophene-2-carbonyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(3-chloro-1-benzothiophene-2-carbonyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(3-chlorobenzothiophene-2-carbonyl)-(4-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(C=CC=C2S1)F)C(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

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