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

Systemtic Name: 2-[(4-bromophenyl)carbonyl-(4-chloranyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-bromobenzoyl)-(4-chloro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-bromophenyl)-oxomethyl]-(4-chloro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-bromobenzoyl)-(4-chloro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-bromobenzoyl)-(4-chloro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C18H18BrClN3OS+ MolecularWeight: 439.77702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(S1)C=CC=C2Cl)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=CC=C2Cl)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H17BrClN3OS/c1-22(2)10-11-23(17(24)12-6-8-13(19)9-7-12)18-21-16-14(20)4-3-5-15(16)25-18/h3-9H,10-11H2,1-2H3/p+1