3-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-(2-phenylethanoyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-(2-phenylethanoyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(2-phenylacetyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(1-oxo-2-phenylethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(2-phenylacetyl)amino]propyl-dimethylazanium Traditional Name: 3-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(2-phenylacetyl)amino]propyl-dimethyl-ammonium Formula: C21H25ClN3O2S+ MolecularWeight: 418.9601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(C=CC(=C2S1)Cl)OC)C(=O)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(C=CC(=C2S1)Cl)OC)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H24ClN3O2S/c1-24(2)12-7-13-25(18(26)14-15-8-5-4-6-9-15)21-23-19-17(27-3)11-10-16(22)20(19)28-21/h4-6,8-11H,7,12-14H2,1-3H3/p+1