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

Systemtic Name: N-[(3-methylphenyl)methyl]-2-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-(m-tolylmethyl)-2-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide CAS Name: N-[(3-methylphenyl)methyl]-2-[[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-[(3-methylphenyl)methyl]-2-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-(3-methylbenzyl)-2-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Formula: C26H30N3O2+ MolecularWeight: 416.5353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=O)C2=CC=CC=C2OC3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=O)C2=CC=CC=C2OC3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C26H29N3O2/c1-20-7-6-8-21(17-20)18-28-26(30)24-10-2-3-11-25(24)31-23-12-15-29(16-13-23)19-22-9-4-5-14-27-22/h2-11,14,17,23H,12-13,15-16,18-19H2,1H3,(H,28,30)/p+1