2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(2-phenylethanoyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(2-phenylethanoyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(2-phenylacetyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(1-oxo-2-phenylethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(2-phenylacetyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(2-phenylacetyl)amino]ethyl-dimethyl-ammonium Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-23(2)12-13-24(18(25)14-15-8-6-5-7-9-15)21-22-19-16(26-3)10-11-17(27-4)20(19)28-21/h5-11H,12-14H2,1-4H3/p+1