2,3-dihydro-1-benzofuran-5-ylmethyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: 2,3-dihydro-1-benzofuran-5-ylmethyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: 2,3-dihydrobenzofuran-5-ylmethyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium CAS Name: 2,3-dihydrobenzofuran-5-ylmethyl-[[1-(2-methoxyethyl)-4-piperidin-1-iumyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: 2,3-dihydro-1-benzofuran-5-ylmethyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: coumaran-5-ylmethyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(4-pyridylmethyl)ammonium Formula: C24H35N3O2+2 MolecularWeight: 397.5536

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+]1CCC(CC1)C[NH+](CC2=CC=NC=C2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

COCC[NH+]1CCC(CC1)C[NH+](CC2=CC=NC=C2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C24H33N3O2/c1-28-15-13-26-11-6-21(7-12-26)18-27(17-20-4-9-25-10-5-20)19-22-2-3-24-23(16-22)8-14-29-24/h2-5,9-10,16,21H,6-8,11-15,17-19H2,1H3/p+2