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

Systemtic Name: 4-[(1S,2S)-1-cyclohexyl-1-oxidanyl-2-phenyl-3-piperidin-1-ium-1-yl-propyl]phenol Openeye Name: 4-[(1S,2S)-1-cyclohexyl-1-hydroxy-2-phenyl-3-piperidin-1-ium-1-yl-propyl]phenol CAS Name: 4-[(1S,2S)-1-cyclohexyl-1-hydroxy-2-phenyl-3-(1-piperidin-1-iumyl)propyl]phenol IUPAC Name: 4-[(1S,2S)-1-cyclohexyl-1-hydroxy-2-phenyl-3-piperidin-1-ium-1-ylpropyl]phenol Traditional Name: 4-[(1S,2S)-1-cyclohexyl-1-hydroxy-2-phenyl-3-piperidin-1-ium-1-yl-propyl]phenol Formula: C26H36NO2+ MolecularWeight: 394.56954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=C(C=C2)O)(C(C[NH+]3CCCCC3)C4=CC=CC=C4)O

Isomeric SMILES

C1CCC(CC1)[C@@](C2=CC=C(C=C2)O)([C@H](C[NH+]3CCCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C26H35NO2/c28-24-16-14-23(15-17-24)26(29,22-12-6-2-7-13-22)25(21-10-4-1-5-11-21)20-27-18-8-3-9-19-27/h1,4-5,10-11,14-17,22,25,28-29H,2-3,6-9,12-13,18-20H2/p+1/t25-,26-/m1/s1