2-[2-(4-chlorophenyl)sulfanylethanoyl-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-(4-chlorophenyl)sulfanylethanoyl-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(4-chlorophenyl)sulfanylacetyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(4-chlorophenyl)sulfanylacetyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[[2-[(4-chlorophenyl)thio]acetyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C20H23ClN3OS2+ MolecularWeight: 420.99912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)CSC3=CC=C(C=C3)Cl

InChI

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