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

Systemtic Name: 1-benzofuran-2-ylmethyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: benzofuran-2-ylmethyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium CAS Name: 2-benzofuranylmethyl-[[1-(2-methoxyethyl)-4-piperidin-1-iumyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: 1-benzofuran-2-ylmethyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: benzofuran-2-ylmethyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium Formula: C24H33N3O2+2 MolecularWeight: 395.53772

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+]1CCC(CC1)C[NH+](CC2=CC=NC=C2)CC3=CC4=CC=CC=C4O3

Isomeric SMILES

COCC[NH+]1CCC(CC1)C[NH+](CC2=CC=NC=C2)CC3=CC4=CC=CC=C4O3

InChI

InChI=1S/C24H31N3O2/c1-28-15-14-26-12-8-21(9-13-26)18-27(17-20-6-10-25-11-7-20)19-23-16-22-4-2-3-5-24(22)29-23/h2-7,10-11,16,21H,8-9,12-15,17-19H2,1H3/p+2