trimethyl-[3-[[5-(3-methylbutoxymethyl)-1-benzofuran-2-yl]carbonyloxy]butyl]azanium

Systemtic Name: trimethyl-[3-[[5-(3-methylbutoxymethyl)-1-benzofuran-2-yl]carbonyloxy]butyl]azanium Openeye Name: 3-[5-(isopentyloxymethyl)benzofuran-2-carbonyl]oxybutyl-trimethyl-ammonium CAS Name: trimethyl-[3-[[5-(3-methylbutoxymethyl)-2-benzofuranyl]-oxomethoxy]butyl]ammonium IUPAC Name: trimethyl-[3-[5-(3-methylbutoxymethyl)-1-benzofuran-2-carbonyl]oxybutyl]azanium Traditional Name: 3-[5-(isoamoxymethyl)benzofuran-2-carbonyl]oxybutyl-trimethyl-ammonium Formula: C22H34NO4+ MolecularWeight: 376.50966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOCC1=CC2=C(C=C1)OC(=C2)C(=O)OC(C)CC[N+](C)(C)C

Isomeric SMILES

CC(C)CCOCC1=CC2=C(C=C1)OC(=C2)C(=O)OC(C)CC[N+](C)(C)C

InChI

InChI=1S/C22H34NO4/c1-16(2)10-12-25-15-18-7-8-20-19(13-18)14-21(27-20)22(24)26-17(3)9-11-23(4,5)6/h7-8,13-14,16-17H,9-12,15H2,1-6H3/q+1