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

Systemtic Name: 2-[(5-bromanylthiophen-2-yl)carbonyl-(6-chloranyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5-bromothiophene-2-carbonyl)-(6-chloro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(5-bromo-2-thiophenyl)-oxomethyl]-(6-chloro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(5-bromothiophene-2-carbonyl)-(6-chloro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(5-bromothiophene-2-carbonyl)-(6-chloro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C16H16BrClN3OS2+ MolecularWeight: 445.80474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)C3=CC=C(S3)Br

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C16H15BrClN3OS2/c1-20(2)7-8-21(15(22)12-5-6-14(17)23-12)16-19-11-4-3-10(18)9-13(11)24-16/h3-6,9H,7-8H2,1-2H3/p+1