[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(2,4,4-trimethylpentan-2-yl)azanium

Systemtic Name: [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(2,4,4-trimethylpentan-2-yl)azanium Openeye Name: [3-ethoxy-4-(2-thienylmethoxy)phenyl]methyl-(1,1,3,3-tetramethylbutyl)ammonium CAS Name: [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(2,4,4-trimethylpentan-2-yl)ammonium IUPAC Name: [3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(2,4,4-trimethylpentan-2-yl)azanium Traditional Name: [3-ethoxy-4-(2-thenyloxy)benzyl]-(1,1,3,3-tetramethylbutyl)ammonium Formula: C22H34NO2S+ MolecularWeight: 376.57586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]C(C)(C)CC(C)(C)C)OCC2=CC=CS2

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]C(C)(C)CC(C)(C)C)OCC2=CC=CS2

InChI

InChI=1S/C22H33NO2S/c1-7-24-20-13-17(14-23-22(5,6)16-21(2,3)4)10-11-19(20)25-15-18-9-8-12-26-18/h8-13,23H,7,14-16H2,1-6H3/p+1