3-[(6-chloranyl-1,3-benzothiazol-2-yl)-(4-phenylsulfanylbutanoyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6-chloranyl-1,3-benzothiazol-2-yl)-(4-phenylsulfanylbutanoyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-chloro-1,3-benzothiazol-2-yl)-(4-phenylsulfanylbutanoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-chloro-1,3-benzothiazol-2-yl)-[1-oxo-4-(phenylthio)butyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-chloro-1,3-benzothiazol-2-yl)-(4-phenylsulfanylbutanoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-chloro-1,3-benzothiazol-2-yl)-[4-(phenylthio)butanoyl]amino]propyl-dimethyl-ammonium Formula: C22H27ClN3OS2+ MolecularWeight: 449.05228

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C22H26ClN3OS2/c1-25(2)13-7-14-26(22-24-19-12-11-17(23)16-20(19)29-22)21(27)10-6-15-28-18-8-4-3-5-9-18/h3-5,8-9,11-12,16H,6-7,10,13-15H2,1-2H3/p+1