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

Systemtic Name: 2-[(4-bromophenyl)carbonyl-(6-chloranyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-bromobenzoyl)-(6-chloro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-bromophenyl)-oxomethyl]-(6-chloro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-bromobenzoyl)-(6-chloro-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-bromobenzoyl)-(6-chloro-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C18H18BrClN3OS+ MolecularWeight: 439.77702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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