2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(2-methylphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(2-methylphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(2-methylbenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-[(2-methylphenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(2-methylbenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-o-toluoyl-amino]ethyl-dimethyl-ammonium Formula: C21H26N3OS+ MolecularWeight: 368.51564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N(CC[NH+](C)C)C2=NC3=CC(=CC(=C3S2)C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N(CC[NH+](C)C)C2=NC3=CC(=CC(=C3S2)C)C

InChI

InChI=1S/C21H25N3OS/c1-14-12-16(3)19-18(13-14)22-21(26-19)24(11-10-23(4)5)20(25)17-9-7-6-8-15(17)2/h6-9,12-13H,10-11H2,1-5H3/p+1