1-benzofuran-2-ylmethyl-[5-(dimethylazaniumyl)pentyl]-ethyl-azanium

Systemtic Name: 1-benzofuran-2-ylmethyl-[5-(dimethylazaniumyl)pentyl]-ethyl-azanium Openeye Name: benzofuran-2-ylmethyl-[5-(dimethylammonio)pentyl]-ethyl-ammonium CAS Name: 2-benzofuranylmethyl-[5-(dimethylammonio)pentyl]-ethylammonium IUPAC Name: 1-benzofuran-2-ylmethyl-[5-(dimethylazaniumyl)pentyl]-ethylazanium Traditional Name: benzofuran-2-ylmethyl-[5-(dimethylammonio)pentyl]-ethyl-ammonium Formula: C18H30N2O+2 MolecularWeight: 290.4436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O/c1-4-20(13-9-5-8-12-19(2)3)15-17-14-16-10-6-7-11-18(16)21-17/h6-7,10-11,14H,4-5,8-9,12-13,15H2,1-3H3/p+2