3-[1,3-benzothiazol-2-yl-(4-propan-2-yloxyphenyl)carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[1,3-benzothiazol-2-yl-(4-propan-2-yloxyphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzothiazol-2-yl-(4-isopropoxybenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[1,3-benzothiazol-2-yl-[oxo-(4-propan-2-yloxyphenyl)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzothiazol-2-yl-(4-propan-2-yloxybenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[1,3-benzothiazol-2-yl-(4-isopropoxybenzoyl)amino]propyl-dimethyl-ammonium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H27N3O2S/c1-16(2)27-18-12-10-17(11-13-18)21(26)25(15-7-14-24(3)4)22-23-19-8-5-6-9-20(19)28-22/h5-6,8-13,16H,7,14-15H2,1-4H3/p+1