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

Systemtic Name: 4-[(1S,2S)-1-(2-methoxyphenyl)-1-oxidanyl-2-phenyl-3-piperidin-1-ium-1-yl-propyl]phenol Openeye Name: 4-[(1S,2S)-1-hydroxy-1-(2-methoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propyl]phenol CAS Name: 4-[(1S,2S)-1-hydroxy-1-(2-methoxyphenyl)-2-phenyl-3-(1-piperidin-1-iumyl)propyl]phenol IUPAC Name: 4-[(1S,2S)-1-hydroxy-1-(2-methoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-ylpropyl]phenol Traditional Name: 4-[(1S,2S)-1-hydroxy-1-(2-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=CC=C1C(C2=CC=C(C=C2)O)(C(C[NH+]3CCCCC3)C4=CC=CC=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO3/c1-31-26-13-7-6-12-24(26)27(30,22-14-16-23(29)17-15-22)25(21-10-4-2-5-11-21)20-28-18-8-3-9-19-28/h2,4-7,10-17,25,29-30H,3,8-9,18-20H2,1H3/p+1/t25-,27+/m1/s1