3,4-dihydro-1H-isoquinolin-2-yl-[5-[1-[(4-fluorophenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-[1-[(4-fluorophenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-[1-[(4-fluorophenyl)methyl]-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-[1-[(4-fluorophenyl)methyl]-4-hydroxy-4-piperidin-1-iumyl]-2-benzofuranyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-ium-4-yl]-1-benzofuran-2-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[5-[1-(4-fluorobenzyl)-4-hydroxy-piperidin-1-ium-4-yl]benzofuran-2-yl]methanone Formula: C30H30FN2O3+ MolecularWeight: 485.569203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(O3)C=CC(=C4)C5(CC[NH+](CC5)CC6=CC=C(C=C6)F)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(O3)C=CC(=C4)C5(CC[NH+](CC5)CC6=CC=C(C=C6)F)O

InChI

InChI=1S/C30H29FN2O3/c31-26-8-5-21(6-9-26)19-32-15-12-30(35,13-16-32)25-7-10-27-24(17-25)18-28(36-27)29(34)33-14-11-22-3-1-2-4-23(22)20-33/h1-10,17-18,35H,11-16,19-20H2/p+1