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

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(2-phenoxyethanoyl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(2-phenoxyacetyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(1-oxo-2-phenoxyethyl)amino]ethyl-diethylammonium IUPAC Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(2-phenoxyacetyl)amino]ethyl-diethylazanium Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(2-phenoxyacetyl)amino]ethyl-diethyl-ammonium Formula: C23H30N3O3S+ MolecularWeight: 428.5676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)OCC)C(=O)COC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)OCC)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3S/c1-4-25(5-2)14-15-26(22(27)17-29-18-10-8-7-9-11-18)23-24-20-13-12-19(28-6-3)16-21(20)30-23/h7-13,16H,4-6,14-15,17H2,1-3H3/p+1