N-[(2-fluorophenyl)methyl]-5-[1-[(3-methylphenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2-fluorophenyl)methyl]-5-[1-[(3-methylphenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[(2-fluorophenyl)methyl]-5-[4-hydroxy-1-(m-tolylmethyl)piperidin-1-ium-4-yl]benzofuran-2-carboxamide CAS Name: N-[(2-fluorophenyl)methyl]-5-[4-hydroxy-1-[(3-methylphenyl)methyl]-4-piperidin-1-iumyl]-2-benzofurancarboxamide IUPAC Name: N-[(2-fluorophenyl)methyl]-5-[4-hydroxy-1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]-1-benzofuran-2-carboxamide Traditional Name: N-(2-fluorobenzyl)-5-[4-hydroxy-1-(3-methylbenzyl)piperidin-1-ium-4-yl]coumarilamide Formula: C29H30FN2O3+ MolecularWeight: 473.558503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC5=CC=CC=C5F)O

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OC(=C4)C(=O)NCC5=CC=CC=C5F)O

InChI

InChI=1S/C29H29FN2O3/c1-20-5-4-6-21(15-20)19-32-13-11-29(34,12-14-32)24-9-10-26-23(16-24)17-27(35-26)28(33)31-18-22-7-2-3-8-25(22)30/h2-10,15-17,34H,11-14,18-19H2,1H3,(H,31,33)/p+1