3-[2-(4-methoxyphenyl)ethanoyl-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[2-(4-methoxyphenyl)ethanoyl-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(4-methoxyphenyl)acetyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-(4-methoxyphenyl)-1-oxoethyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(4-methoxyphenyl)acetyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[[2-(4-methoxyphenyl)acetyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27N3O2S/c1-16-7-5-8-19-21(16)23-22(28-19)25(14-6-13-24(2)3)20(26)15-17-9-11-18(27-4)12-10-17/h5,7-12H,6,13-15H2,1-4H3/p+1