(2S,3S)-2-(4-methoxyphenyl)-1,3-diphenyl-4-piperidin-1-ium-1-yl-butan-2-ol

Systemtic Name: (2S,3S)-2-(4-methoxyphenyl)-1,3-diphenyl-4-piperidin-1-ium-1-yl-butan-2-ol Openeye Name: (2S,3S)-2-(4-methoxyphenyl)-1,3-diphenyl-4-piperidin-1-ium-1-yl-butan-2-ol CAS Name: (2S,3S)-2-(4-methoxyphenyl)-1,3-diphenyl-4-(1-piperidin-1-iumyl)-2-butanol IUPAC Name: (2S,3S)-2-(4-methoxyphenyl)-1,3-diphenyl-4-piperidin-1-ium-1-ylbutan-2-ol Traditional Name: (2S,3S)-2-(4-methoxyphenyl)-1,3-diphenyl-4-piperidin-1-ium-1-yl-butan-2-ol Formula: C28H34NO2+ MolecularWeight: 416.57506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC2=CC=CC=C2)(C(C[NH+]3CCCCC3)C4=CC=CC=C4)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@](CC2=CC=CC=C2)([C@H](C[NH+]3CCCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C28H33NO2/c1-31-26-17-15-25(16-18-26)28(30,21-23-11-5-2-6-12-23)27(24-13-7-3-8-14-24)22-29-19-9-4-10-20-29/h2-3,5-8,11-18,27,30H,4,9-10,19-22H2,1H3/p+1/t27-,28-/m1/s1