1-benzofuran-2-ylmethyl-[9-(diethylazaniumyl)nonyl]-methyl-azanium

Systemtic Name: 1-benzofuran-2-ylmethyl-[9-(diethylazaniumyl)nonyl]-methyl-azanium Openeye Name: benzofuran-2-ylmethyl-[9-(diethylammonio)nonyl]-methyl-ammonium CAS Name: 2-benzofuranylmethyl-[9-(diethylammonio)nonyl]-methylammonium IUPAC Name: 1-benzofuran-2-ylmethyl-[9-(diethylazaniumyl)nonyl]-methylazanium Traditional Name: benzofuran-2-ylmethyl-[9-(diethylammonio)nonyl]-methyl-ammonium Formula: C23H40N2O+2 MolecularWeight: 360.5765

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H38N2O/c1-4-25(5-2)18-14-10-8-6-7-9-13-17-24(3)20-22-19-21-15-11-12-16-23(21)26-22/h11-12,15-16,19H,4-10,13-14,17-18,20H2,1-3H3/p+2