[1-(2-butyl-1-benzofuran-3-yl)-2-(4-methoxyphenyl)ethyl]azanium chloride

Systemtic Name: [1-(2-butyl-1-benzofuran-3-yl)-2-(4-methoxyphenyl)ethyl]azanium chloride Openeye Name: [1-(2-butylbenzofuran-3-yl)-2-(4-methoxyphenyl)ethyl]ammonium chloride CAS Name: [1-(2-butyl-3-benzofuranyl)-2-(4-methoxyphenyl)ethyl]ammonium chloride IUPAC Name: [1-(2-butyl-1-benzofuran-3-yl)-2-(4-methoxyphenyl)ethyl]azanium chloride Traditional Name: [1-(2-butylbenzofuran-3-yl)-2-(4-methoxyphenyl)ethyl]ammonium chloride Formula: C21H26ClNO2 MolecularWeight: 359.88964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C(CC3=CC=C(C=C3)OC)[NH3+].[Cl-]

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)C(CC3=CC=C(C=C3)OC)[NH3+].[Cl-]

InChI

InChI=1S/C21H25NO2.ClH/c1-3-4-8-20-21(17-7-5-6-9-19(17)24-20)18(22)14-15-10-12-16(23-2)13-11-15;/h5-7,9-13,18H,3-4,8,14,22H2,1-2H3;1H