2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-[2-(4-methoxyphenyl)ethanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-[2-(4-methoxyphenyl)ethanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-[2-(4-methoxyphenyl)acetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-[2-(4-methoxyphenyl)-1-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-[2-(4-methoxyphenyl)acetyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-[2-(4-methoxyphenyl)acetyl]amino]ethyl-dimethyl-ammonium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC[NH+](C)C)C(=O)CC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC[NH+](C)C)C(=O)CC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C22H27N3O2S/c1-15-6-11-19-21(16(15)2)23-22(28-19)25(13-12-24(3)4)20(26)14-17-7-9-18(27-5)10-8-17/h6-11H,12-14H2,1-5H3/p+1