2-fluoranyl-N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 2-fluoranyl-N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-fluoro-N-[[1-(o-tolylmethyl)piperidin-1-ium-4-yl]methyl]-N-(3-pyridylmethyl)benzamide CAS Name: 2-fluoro-N-[[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-fluoro-N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 2-fluoro-N-[[1-(2-methylbenzyl)piperidin-1-ium-4-yl]methyl]-N-(3-pyridylmethyl)benzamide Formula: C27H31FN3O+ MolecularWeight: 432.552943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)CN(CC3=CN=CC=C3)C(=O)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)CN(CC3=CN=CC=C3)C(=O)C4=CC=CC=C4F

InChI

InChI=1S/C27H30FN3O/c1-21-7-2-3-9-24(21)20-30-15-12-22(13-16-30)18-31(19-23-8-6-14-29-17-23)27(32)25-10-4-5-11-26(25)28/h2-11,14,17,22H,12-13,15-16,18-20H2,1H3/p+1