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

Systemtic Name: N-[2-[(3S)-3-oxidanylpiperidin-1-ium-1-yl]ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-[2-[(3S)-3-hydroxypiperidin-1-ium-1-yl]ethyl]-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide CAS Name: N-[2-[(3S)-3-hydroxy-1-piperidin-1-iumyl]ethyl]-4-[[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-[2-[(3S)-3-hydroxypiperidin-1-ium-1-yl]ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-[2-[(3S)-3-hydroxypiperidin-1-ium-1-yl]ethyl]-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Formula: C25H36N4O3+2 MolecularWeight: 440.57834

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCNC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4)O

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCNC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4)O

InChI

InChI=1S/C25H34N4O3/c30-22-5-3-14-28(19-22)17-13-27-25(31)20-6-8-23(9-7-20)32-24-10-15-29(16-11-24)18-21-4-1-2-12-26-21/h1-2,4,6-9,12,22,24,30H,3,5,10-11,13-19H2,(H,27,31)/p+2/t22-/m0/s1