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

Systemtic Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(phenylcarbonyl)amino]ethyl-diethyl-azanium Openeye Name: 2-[benzoyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[benzoyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[benzoyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[benzoyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium Formula: C22H28N3O3S+ MolecularWeight: 414.54102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-5-24(6-2)14-15-25(21(26)16-10-8-7-9-11-16)22-23-19-17(27-3)12-13-18(28-4)20(19)29-22/h7-13H,5-6,14-15H2,1-4H3/p+1