methyl-[(3R,4R)-3-oxidanyl-1-[(4-phenylphenyl)methyl]piperidin-1-ium-4-yl]-(2-pyridin-2-ylethyl)azanium

Systemtic Name: methyl-[(3R,4R)-3-oxidanyl-1-[(4-phenylphenyl)methyl]piperidin-1-ium-4-yl]-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3R,4R)-3-hydroxy-1-[(4-phenylphenyl)methyl]piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3R,4R)-3-hydroxy-1-[(4-phenylphenyl)methyl]-4-piperidin-1-iumyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3R,4R)-3-hydroxy-1-[(4-phenylphenyl)methyl]piperidin-1-ium-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3R,4R)-3-hydroxy-1-(4-phenylbenzyl)piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C26H33N3O+2 MolecularWeight: 403.55972

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)C2CC[NH+](CC2O)CC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)[C@@H]2CC[NH+](C[C@H]2O)CC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H31N3O/c1-28(17-14-24-9-5-6-16-27-24)25-15-18-29(20-26(25)30)19-21-10-12-23(13-11-21)22-7-3-2-4-8-22/h2-13,16,25-26,30H,14-15,17-20H2,1H3/p+2/t25-,26-/m1/s1