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

Systemtic Name: 3-[(6-chloranyl-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-chloro-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-chloro-1,3-benzothiazol-2-yl)-(1-oxo-3-phenoxypropyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(6-chloro-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-chloro-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]propyl-dimethyl-ammonium Formula: C21H25ClN3O2S+ MolecularWeight: 418.9601

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)CCOC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)CCOC3=CC=CC=C3

InChI

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