(3R,4R)-4-(azepan-1-ium-1-yl)-1-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-3-ol

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]-3-piperidinol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-3-ol Formula: C22H38N4O+2 MolecularWeight: 374.56332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CCN(CC2O)C3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H]2CCN(C[C@H]2O)C3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C22H36N4O/c27-22-18-26(16-10-21(22)25-12-5-1-2-6-13-25)20-8-14-24(15-9-20)17-19-7-3-4-11-23-19/h3-4,7,11,20-22,27H,1-2,5-6,8-10,12-18H2/p+2/t21-,22-/m1/s1