N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide

Systemtic Name: N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide CAS Name: N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Formula: C27H32N3O3+ MolecularWeight: 446.56128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C27H31N3O3/c1-20(21-6-10-24(32-2)11-7-21)29-27(31)22-8-12-25(13-9-22)33-26-14-17-30(18-15-26)19-23-5-3-4-16-28-23/h3-13,16,20,26H,14-15,17-19H2,1-2H3,(H,29,31)/p+1/t20-/m1/s1