2,3-dihydro-1-benzofuran-5-ylmethyl-(pyridin-4-ylmethyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium

Systemtic Name: 2,3-dihydro-1-benzofuran-5-ylmethyl-(pyridin-4-ylmethyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium Openeye Name: 2,3-dihydrobenzofuran-5-ylmethyl-(4-pyridylmethyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ammonium CAS Name: 2,3-dihydrobenzofuran-5-ylmethyl-(pyridin-4-ylmethyl)-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)ammonium IUPAC Name: 2,3-dihydro-1-benzofuran-5-ylmethyl-(pyridin-4-ylmethyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium Traditional Name: coumaran-5-ylmethyl-(4-pyridylmethyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ammonium Formula: C24H35N3O+2 MolecularWeight: 381.5542

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)[NH+](CC2=CC=NC=C2)CC3=CC4=C(C=C3)OCC4)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)[NH+](CC2=CC=NC=C2)CC3=CC4=C(C=C3)OCC4)C

InChI

InChI=1S/C24H33N3O/c1-23(2)14-21(15-24(3,4)26-23)27(16-18-7-10-25-11-8-18)17-19-5-6-22-20(13-19)9-12-28-22/h5-8,10-11,13,21,26H,9,12,14-17H2,1-4H3/p+2