3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(2-phenoxyethanoyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(2-phenoxyethanoyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(2-phenoxyacetyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(1-oxo-2-phenoxyethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(2-phenoxyacetyl)amino]propyl-dimethylazanium Traditional Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(2-phenoxyacetyl)amino]propyl-dimethyl-ammonium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CCC[NH+](C)C)C(=O)COC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CCC[NH+](C)C)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-16-13-19-20(14-17(16)2)28-22(23-19)25(12-8-11-24(3)4)21(26)15-27-18-9-6-5-7-10-18/h5-7,9-10,13-14H,8,11-12,15H2,1-4H3/p+1