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

Systemtic Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(3,4-dimethylphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(3,4-dimethylbenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-[(3,4-dimethylphenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(3,4-dimethylbenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(3,4-dimethylbenzoyl)amino]ethyl-dimethyl-ammonium Formula: C22H28N3OS+ MolecularWeight: 382.54222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=CC(=C3C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=CC(=C3C)C)C

InChI

InChI=1S/C22H27N3OS/c1-14-7-9-18(13-16(14)3)21(26)25(12-11-24(5)6)22-23-20-17(4)15(2)8-10-19(20)27-22/h7-10,13H,11-12H2,1-6H3/p+1