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

Systemtic Name: N-(2-pyridin-2-ylethyl)-3-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-[2-(2-pyridyl)ethyl]-3-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide CAS Name: N-[2-(2-pyridinyl)ethyl]-3-[[1-(pyridin-4-ylmethyl)-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-(2-pyridin-2-ylethyl)-3-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-[2-(2-pyridyl)ethyl]-3-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Formula: C25H29N4O2+ MolecularWeight: 417.52336

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC2=CC=CC(=C2)C(=O)NCCC3=CC=CC=N3)CC4=CC=NC=C4

Isomeric SMILES

C1C[NH+](CCC1OC2=CC=CC(=C2)C(=O)NCCC3=CC=CC=N3)CC4=CC=NC=C4

InChI

InChI=1S/C25H28N4O2/c30-25(28-15-9-22-5-1-2-12-27-22)21-4-3-6-24(18-21)31-23-10-16-29(17-11-23)19-20-7-13-26-14-8-20/h1-8,12-14,18,23H,9-11,15-17,19H2,(H,28,30)/p+1