2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(4-methoxyphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(4-methoxyphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(4-methoxybenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-[(4-methoxyphenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(4-methoxybenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-p-anisoyl-amino]ethyl-dimethyl-ammonium Formula: C21H26N3O2S+ MolecularWeight: 384.51504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25N3O2S/c1-14-12-18-19(13-15(14)2)27-21(22-18)24(11-10-23(3)4)20(25)16-6-8-17(26-5)9-7-16/h6-9,12-13H,10-11H2,1-5H3/p+1