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

Systemtic Name: 3-[(4-chloranyl-1,3-benzothiazol-2-yl)-(4-methylsulfanylphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-chloro-1,3-benzothiazol-2-yl)-(4-methylsulfanylbenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-chloro-1,3-benzothiazol-2-yl)-[[4-(methylthio)phenyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-chloro-1,3-benzothiazol-2-yl)-(4-methylsulfanylbenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-chloro-1,3-benzothiazol-2-yl)-[4-(methylthio)benzoyl]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)C3=CC=C(C=C3)SC

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3OS2/c1-23(2)12-5-13-24(19(25)14-8-10-15(26-3)11-9-14)20-22-18-16(21)6-4-7-17(18)27-20/h4,6-11H,5,12-13H2,1-3H3/p+1