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

Systemtic Name: 4-[(2S,3S)-3-oxidanyl-2-phenyl-1-piperidin-1-ium-1-yl-hexan-3-yl]phenol Openeye Name: 4-[(1S)-1-hydroxy-1-[(1S)-1-phenyl-2-piperidin-1-ium-1-yl-ethyl]butyl]phenol CAS Name: 4-[(2S,3S)-3-hydroxy-2-phenyl-1-(1-piperidin-1-iumyl)hexan-3-yl]phenol IUPAC Name: 4-[(2S,3S)-3-hydroxy-2-phenyl-1-piperidin-1-ium-1-ylhexan-3-yl]phenol Traditional Name: 4-[(1S)-1-hydroxy-1-[(1S)-1-phenyl-2-piperidin-1-ium-1-yl-ethyl]butyl]phenol Formula: C23H32NO2+ MolecularWeight: 354.50568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO2/c1-2-15-23(26,20-11-13-21(25)14-12-20)22(19-9-5-3-6-10-19)18-24-16-7-4-8-17-24/h3,5-6,9-14,22,25-26H,2,4,7-8,15-18H2,1H3/p+1/t22-,23-/m1/s1