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

Systemtic Name: 2-[(4-methoxyphenyl)carbonyl-(4-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-methoxybenzoyl)-(4-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-methoxyphenyl)-oxomethyl]-[4-(methylthio)-1,3-benzothiazol-2-yl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-methoxybenzoyl)-(4-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: dimethyl-[2-[[4-(methylthio)-1,3-benzothiazol-2-yl]-p-anisoyl-amino]ethyl]ammonium Formula: C20H24N3O2S2+ MolecularWeight: 402.55346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O2S2/c1-22(2)12-13-23(19(24)14-8-10-15(25-3)11-9-14)20-21-18-16(26-4)6-5-7-17(18)27-20/h5-11H,12-13H2,1-4H3/p+1