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

Systemtic Name: 4-[(1S,2S)-1-(4-methoxyphenyl)-1-oxidanyl-2-phenyl-3-piperidin-1-ium-1-yl-propyl]phenol Openeye Name: 4-[(1S,2S)-1-hydroxy-1-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propyl]phenol CAS Name: 4-[(1S,2S)-1-hydroxy-1-(4-methoxyphenyl)-2-phenyl-3-(1-piperidin-1-iumyl)propyl]phenol IUPAC Name: 4-[(1S,2S)-1-hydroxy-1-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-ylpropyl]phenol Traditional Name: 4-[(1S,2S)-1-hydroxy-1-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propyl]phenol Formula: C27H32NO3+ MolecularWeight: 418.54788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)O)(C(C[NH+]3CCCCC3)C4=CC=CC=C4)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@@](C2=CC=C(C=C2)O)([C@H](C[NH+]3CCCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C27H31NO3/c1-31-25-16-12-23(13-17-25)27(30,22-10-14-24(29)15-11-22)26(21-8-4-2-5-9-21)20-28-18-6-3-7-19-28/h2,4-5,8-17,26,29-30H,3,6-7,18-20H2,1H3/p+1/t26-,27+/m1/s1