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

Systemtic Name: N-[[(3R)-1-propan-2-ylpiperidin-1-ium-3-yl]methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-[[(3R)-1-isopropylpiperidin-1-ium-3-yl]methyl]-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide CAS Name: N-[[(3R)-1-propan-2-yl-3-piperidin-1-iumyl]methyl]-4-[[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-[[(3R)-1-propan-2-ylpiperidin-1-ium-3-yl]methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-[[(3R)-1-isopropylpiperidin-1-ium-3-yl]methyl]-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Formula: C27H40N4O2+2 MolecularWeight: 452.6321

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCCC(C1)CNC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

CC(C)[NH+]1CCC[C@@H](C1)CNC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C27H38N4O2/c1-21(2)31-15-5-6-22(19-31)18-29-27(32)23-8-10-25(11-9-23)33-26-12-16-30(17-13-26)20-24-7-3-4-14-28-24/h3-4,7-11,14,21-22,26H,5-6,12-13,15-20H2,1-2H3,(H,29,32)/p+2/t22-/m1/s1