2-[(6-chloranyl-1,3-benzothiazol-2-yl)-(3-phenylsulfanylpropanoyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6-chloranyl-1,3-benzothiazol-2-yl)-(3-phenylsulfanylpropanoyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-(3-phenylsulfanylpropanoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-[1-oxo-3-(phenylthio)propyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-(3-phenylsulfanylpropanoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-[3-(phenylthio)propanoyl]amino]ethyl-dimethyl-ammonium Formula: C20H23ClN3OS2+ MolecularWeight: 420.99912

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)CCSC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C20H22ClN3OS2/c1-23(2)11-12-24(19(25)10-13-26-16-6-4-3-5-7-16)20-22-17-9-8-15(21)14-18(17)27-20/h3-9,14H,10-13H2,1-2H3/p+1