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

Systemtic Name: 3-[(4-chloranyl-1,3-benzothiazol-2-yl)-(2-phenylsulfanylethanoyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-chloro-1,3-benzothiazol-2-yl)-(2-phenylsulfanylacetyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-chloro-1,3-benzothiazol-2-yl)-[1-oxo-2-(phenylthio)ethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-chloro-1,3-benzothiazol-2-yl)-(2-phenylsulfanylacetyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-chloro-1,3-benzothiazol-2-yl)-[2-(phenylthio)acetyl]amino]propyl-dimethyl-ammonium Formula: C20H23ClN3OS2+ MolecularWeight: 420.99912

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(S1)C=CC=C2Cl)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(S1)C=CC=C2Cl)C(=O)CSC3=CC=CC=C3

InChI

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