dimethyl-[2-[(4-methylsulfanyl-1,3-benzothiazol-2-yl)-(phenylcarbonyl)amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[(4-methylsulfanyl-1,3-benzothiazol-2-yl)-(phenylcarbonyl)amino]ethyl]azanium Openeye Name: 2-[benzoyl-(4-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[benzoyl-[4-(methylthio)-1,3-benzothiazol-2-yl]amino]ethyl-dimethylammonium IUPAC Name: 2-[benzoyl-(4-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[benzoyl-[4-(methylthio)-1,3-benzothiazol-2-yl]amino]ethyl-dimethyl-ammonium Formula: C19H22N3OS2+ MolecularWeight: 372.52748

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H21N3OS2/c1-21(2)12-13-22(18(23)14-8-5-4-6-9-14)19-20-17-15(24-3)10-7-11-16(17)25-19/h4-11H,12-13H2,1-3H3/p+1