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

Systemtic Name: 4-[(2S,3S)-3-oxidanyl-2-phenyl-1-piperidin-1-ium-1-yl-pentan-3-yl]phenol Openeye Name: 4-[(1S,2S)-1-ethyl-1-hydroxy-2-phenyl-3-piperidin-1-ium-1-yl-propyl]phenol CAS Name: 4-[(2S,3S)-3-hydroxy-2-phenyl-1-(1-piperidin-1-iumyl)pentan-3-yl]phenol IUPAC Name: 4-[(2S,3S)-3-hydroxy-2-phenyl-1-piperidin-1-ium-1-ylpentan-3-yl]phenol Traditional Name: 4-[(1S,2S)-1-ethyl-1-hydroxy-2-phenyl-3-piperidin-1-ium-1-yl-propyl]phenol Formula: C22H30NO2+ MolecularWeight: 340.4791

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO2/c1-2-22(25,19-11-13-20(24)14-12-19)21(18-9-5-3-6-10-18)17-23-15-7-4-8-16-23/h3,5-6,9-14,21,24-25H,2,4,7-8,15-17H2,1H3/p+1/t21-,22-/m1/s1