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

Systemtic Name: 4-[(1S,2S)-1-oxidanyl-1,2-diphenyl-3-piperidin-1-ium-1-yl-propyl]phenol Openeye Name: 4-[(1S,2S)-1-hydroxy-1,2-diphenyl-3-piperidin-1-ium-1-yl-propyl]phenol CAS Name: 4-[(1S,2S)-1-hydroxy-1,2-diphenyl-3-(1-piperidin-1-iumyl)propyl]phenol IUPAC Name: 4-[(1S,2S)-1-hydroxy-1,2-diphenyl-3-piperidin-1-ium-1-ylpropyl]phenol Traditional Name: 4-[(1S,2S)-1-hydroxy-1,2-diphenyl-3-piperidin-1-ium-1-yl-propyl]phenol Formula: C26H30NO2+ MolecularWeight: 388.5219

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(C2=CC=CC=C2)C(C3=CC=CC=C3)(C4=CC=C(C=C4)O)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@H](C2=CC=CC=C2)[C@](C3=CC=CC=C3)(C4=CC=C(C=C4)O)O

InChI

InChI=1S/C26H29NO2/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/h1-2,4-7,10-17,25,28-29H,3,8-9,18-20H2/p+1/t25-,26+/m1/s1