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

Systemtic Name: 3-[1,3-benzothiazol-2-yl(3-phenoxypropanoyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzothiazol-2-yl(3-phenoxypropanoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[1,3-benzothiazol-2-yl-(1-oxo-3-phenoxypropyl)amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzothiazol-2-yl(3-phenoxypropanoyl)amino]propyl-dimethylazanium Traditional Name: 3-[1,3-benzothiazol-2-yl(3-phenoxypropanoyl)amino]propyl-dimethyl-ammonium Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=CC=CC=C2S1)C(=O)CCOC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=CC=CC=C2S1)C(=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S/c1-23(2)14-8-15-24(21-22-18-11-6-7-12-19(18)27-21)20(25)13-16-26-17-9-4-3-5-10-17/h3-7,9-12H,8,13-16H2,1-2H3/p+1