2-[2-[2-(4-azaniumylbutanoylamino)-1,3-thiazol-4-yl]phenoxy]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-[2-(4-azaniumylbutanoylamino)-1,3-thiazol-4-yl]phenoxy]ethyl-dimethyl-azanium Openeye Name: 2-[2-[2-(4-azaniumylbutanoylamino)thiazol-4-yl]phenoxy]ethyl-dimethyl-ammonium CAS Name: 2-[2-[2-[(4-ammonio-1-oxobutyl)amino]-4-thiazolyl]phenoxy]ethyl-dimethylammonium IUPAC Name: 2-[2-[2-(4-azaniumylbutanoylamino)-1,3-thiazol-4-yl]phenoxy]ethyl-dimethylazanium Traditional Name: 2-[2-[2-(4-ammoniobutanoylamino)thiazol-4-yl]phenoxy]ethyl-dimethyl-ammonium Formula: C17H26N4O2S+2 MolecularWeight: 350.47894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=CC=CC=C1C2=CSC(=N2)NC(=O)CCC[NH3+]

Isomeric SMILES

C[NH+](C)CCOC1=CC=CC=C1C2=CSC(=N2)NC(=O)CCC[NH3+]

InChI

InChI=1S/C17H24N4O2S/c1-21(2)10-11-23-15-7-4-3-6-13(15)14-12-24-17(19-14)20-16(22)8-5-9-18/h3-4,6-7,12H,5,8-11,18H2,1-2H3,(H,19,20,22)/p+2