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

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(2-phenoxyethanoyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(2-phenoxyacetyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(1-oxo-2-phenoxyethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(2-phenoxyacetyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(2-phenoxyacetyl)amino]ethyl-dimethyl-ammonium Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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