1-benzofuran-2-ylmethyl-[6-(diethylazaniumyl)hexyl]-ethyl-azanium

Systemtic Name: 1-benzofuran-2-ylmethyl-[6-(diethylazaniumyl)hexyl]-ethyl-azanium Openeye Name: benzofuran-2-ylmethyl-[6-(diethylammonio)hexyl]-ethyl-ammonium CAS Name: 2-benzofuranylmethyl-[6-(diethylammonio)hexyl]-ethylammonium IUPAC Name: 1-benzofuran-2-ylmethyl-[6-(diethylazaniumyl)hexyl]-ethylazanium Traditional Name: benzofuran-2-ylmethyl-[6-(diethylammonio)hexyl]-ethyl-ammonium Formula: C21H36N2O+2 MolecularWeight: 332.52334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCCCC[NH+](CC)CC1=CC2=CC=CC=C2O1

Isomeric SMILES

CC[NH+](CC)CCCCCC[NH+](CC)CC1=CC2=CC=CC=C2O1

InChI

InChI=1S/C21H34N2O/c1-4-22(5-2)15-11-7-8-12-16-23(6-3)18-20-17-19-13-9-10-14-21(19)24-20/h9-10,13-14,17H,4-8,11-12,15-16,18H2,1-3H3/p+2