(5-bromanylfuran-2-yl)methyl-(pyridin-4-ylmethyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium

Systemtic Name: (5-bromanylfuran-2-yl)methyl-(pyridin-4-ylmethyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium Openeye Name: (5-bromo-2-furyl)methyl-(4-pyridylmethyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ammonium CAS Name: (5-bromo-2-furanyl)methyl-(pyridin-4-ylmethyl)-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)ammonium IUPAC Name: (5-bromofuran-2-yl)methyl-(pyridin-4-ylmethyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium Traditional Name: (5-bromo-2-furyl)methyl-(4-pyridylmethyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ammonium Formula: C20H30BrN3O+2 MolecularWeight: 408.3757

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)[NH+](CC2=CC=NC=C2)CC3=CC=C(O3)Br)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)[NH+](CC2=CC=NC=C2)CC3=CC=C(O3)Br)C

InChI

InChI=1S/C20H28BrN3O/c1-19(2)11-16(12-20(3,4)23-19)24(13-15-7-9-22-10-8-15)14-17-5-6-18(21)25-17/h5-10,16,23H,11-14H2,1-4H3/p+2