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

Systemtic Name: 1-benzofuran-2-ylmethyl-[6-(diethylazaniumyl)hexyl]-methyl-azanium Openeye Name: benzofuran-2-ylmethyl-[6-(diethylammonio)hexyl]-methyl-ammonium CAS Name: 2-benzofuranylmethyl-[6-(diethylammonio)hexyl]-methylammonium IUPAC Name: 1-benzofuran-2-ylmethyl-[6-(diethylazaniumyl)hexyl]-methylazanium Traditional Name: benzofuran-2-ylmethyl-[6-(diethylammonio)hexyl]-methyl-ammonium Formula: C20H34N2O+2 MolecularWeight: 318.49676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O/c1-4-22(5-2)15-11-7-6-10-14-21(3)17-19-16-18-12-8-9-13-20(18)23-19/h8-9,12-13,16H,4-7,10-11,14-15,17H2,1-3H3/p+2