[4-[2-[8-[4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenoxy]octoxy]-2-oxidanylidene-ethyl]phenyl]-trimethyl-azanium

Systemtic Name: [4-[2-[8-[4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenoxy]octoxy]-2-oxidanylidene-ethyl]phenyl]-trimethyl-azanium Openeye Name: [4-[2-[8-[4-(2-butylbenzofuran-3-carbonyl)phenoxy]octoxy]-2-oxo-ethyl]phenyl]-trimethyl-ammonium CAS Name: [4-[2-[8-[4-[(2-butyl-3-benzofuranyl)-oxomethyl]phenoxy]octoxy]-2-oxoethyl]phenyl]-trimethylammonium IUPAC Name: [4-[2-[8-[4-(2-butyl-1-benzofuran-3-carbonyl)phenoxy]octoxy]-2-oxoethyl]phenyl]-trimethylazanium Traditional Name: [4-[2-[8-[4-(2-butylbenzofuran-3-carbonyl)phenoxy]octoxy]-2-keto-ethyl]phenyl]-trimethyl-ammonium Formula: C38H48NO5+ MolecularWeight: 598.79142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)OCCCCCCCCOC(=O)CC4=CC=C(C=C4)[N+](C)(C)C

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)OCCCCCCCCOC(=O)CC4=CC=C(C=C4)[N+](C)(C)C

InChI

InChI=1S/C38H48NO5/c1-5-6-16-35-37(33-15-11-12-17-34(33)44-35)38(41)30-20-24-32(25-21-30)42-26-13-9-7-8-10-14-27-43-36(40)28-29-18-22-31(23-19-29)39(2,3)4/h11-12,15,17-25H,5-10,13-14,16,26-28H2,1-4H3/q+1