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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)NCC4=CC=CC=N4

InChI

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