1-benzofuran-2-ylmethyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-[[(2R)-oxolan-2-yl]methyl]azanium

Systemtic Name: 1-benzofuran-2-ylmethyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-[[(2R)-oxolan-2-yl]methyl]azanium Openeye Name: benzofuran-2-ylmethyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: 2-benzofuranylmethyl-[[1-(2-methoxyethyl)-4-piperidin-1-iumyl]methyl]-[[(2R)-2-oxolanyl]methyl]ammonium IUPAC Name: 1-benzofuran-2-ylmethyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-[[(2R)-oxolan-2-yl]methyl]azanium Traditional Name: benzofuran-2-ylmethyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C23H36N2O3+2 MolecularWeight: 388.54354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+]1CCC(CC1)C[NH+](CC2CCCO2)CC3=CC4=CC=CC=C4O3

Isomeric SMILES

COCC[NH+]1CCC(CC1)C[NH+](C[C@H]2CCCO2)CC3=CC4=CC=CC=C4O3

InChI

InChI=1S/C23H34N2O3/c1-26-14-12-24-10-8-19(9-11-24)16-25(17-21-6-4-13-27-21)18-22-15-20-5-2-3-7-23(20)28-22/h2-3,5,7,15,19,21H,4,6,8-14,16-18H2,1H3/p+2/t21-/m1/s1