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

Systemtic Name: 3-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-phenoxyethanoyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-phenoxyacetyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-ethoxy-1,3-benzothiazol-2-yl)-(1-oxo-2-phenoxyethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-phenoxyacetyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-phenoxyacetyl)amino]propyl-dimethyl-ammonium Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)COC3=CC=CC=C3

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3S/c1-4-27-18-12-8-13-19-21(18)23-22(29-19)25(15-9-14-24(2)3)20(26)16-28-17-10-6-5-7-11-17/h5-8,10-13H,4,9,14-16H2,1-3H3/p+1