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

Systemtic Name: 3-[(4-chloranyl-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-chloro-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-chloro-1,3-benzothiazol-2-yl)-(1-oxo-3-phenoxypropyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-chloro-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-chloro-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)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(S1)C=CC=C2Cl)C(=O)CCOC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(S1)C=CC=C2Cl)C(=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H24ClN3O2S/c1-24(2)13-7-14-25(19(26)12-15-27-16-8-4-3-5-9-16)21-23-20-17(22)10-6-11-18(20)28-21/h3-6,8-11H,7,12-15H2,1-2H3/p+1