3-[(6-bromanyl-1,3-benzothiazol-2-yl)-cyclohexylcarbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6-bromanyl-1,3-benzothiazol-2-yl)-cyclohexylcarbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-bromo-1,3-benzothiazol-2-yl)-(cyclohexanecarbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-bromo-1,3-benzothiazol-2-yl)-[cyclohexyl(oxo)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-bromo-1,3-benzothiazol-2-yl)-(cyclohexanecarbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-bromo-1,3-benzothiazol-2-yl)-(cyclohexanecarbonyl)amino]propyl-dimethyl-ammonium Formula: C19H27BrN3OS+ MolecularWeight: 425.40618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)Br)C(=O)C3CCCCC3

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)Br)C(=O)C3CCCCC3

InChI

InChI=1S/C19H26BrN3OS/c1-22(2)11-6-12-23(18(24)14-7-4-3-5-8-14)19-21-16-10-9-15(20)13-17(16)25-19/h9-10,13-14H,3-8,11-12H2,1-2H3/p+1