4-[(2S,3S)-3-oxidanyl-2-phenyl-1-piperidin-1-ium-1-yl-octan-3-yl]phenol

Systemtic Name: 4-[(2S,3S)-3-oxidanyl-2-phenyl-1-piperidin-1-ium-1-yl-octan-3-yl]phenol Openeye Name: 4-[(1S)-1-hydroxy-1-[(1S)-1-phenyl-2-piperidin-1-ium-1-yl-ethyl]hexyl]phenol CAS Name: 4-[(2S,3S)-3-hydroxy-2-phenyl-1-(1-piperidin-1-iumyl)octan-3-yl]phenol IUPAC Name: 4-[(2S,3S)-3-hydroxy-2-phenyl-1-piperidin-1-ium-1-yloctan-3-yl]phenol Traditional Name: 4-[(1S)-1-hydroxy-1-[(1S)-1-phenyl-2-piperidin-1-ium-1-yl-ethyl]hexyl]phenol Formula: C25H36NO2+ MolecularWeight: 382.55884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=C(C=C1)O)(C(C[NH+]2CCCCC2)C3=CC=CC=C3)O

Isomeric SMILES

CCCCC[C@@](C1=CC=C(C=C1)O)([C@H](C[NH+]2CCCCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C25H35NO2/c1-2-3-8-17-25(28,22-13-15-23(27)16-14-22)24(21-11-6-4-7-12-21)20-26-18-9-5-10-19-26/h4,6-7,11-16,24,27-28H,2-3,5,8-10,17-20H2,1H3/p+1/t24-,25-/m1/s1