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

Systemtic Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)-(2-phenoxyethanoyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)-(2-phenoxyacetyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)-(1-oxo-2-phenoxyethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)-(2-phenoxyacetyl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-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=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)COC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)COC3=CC=CC=C3

InChI

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