[(3R)-3-phenethyl-1-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3R)-3-phenethyl-1-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]methanol Openeye Name: [(3R)-3-phenethyl-1-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]methanol CAS Name: [(3R)-3-phenethyl-1-[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3R)-3-phenethyl-1-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3R)-3-phenethyl-1-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]methanol Formula: C25H37N3O+2 MolecularWeight: 395.58078

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC[NH+](CC2)CC3=CC=CC=N3)(CCC4=CC=CC=C4)CO

Isomeric SMILES

C1C[C@@](C[NH+](C1)C2CC[NH+](CC2)CC3=CC=CC=N3)(CCC4=CC=CC=C4)CO

InChI

InChI=1S/C25H35N3O/c29-21-25(14-10-22-7-2-1-3-8-22)13-6-16-28(20-25)24-11-17-27(18-12-24)19-23-9-4-5-15-26-23/h1-5,7-9,15,24,29H,6,10-14,16-21H2/p+2/t25-/m0/s1