(2S,3R)-3-(4-ethoxyphenyl)-2-phenyl-1-piperidin-1-ium-1-yl-octan-3-ol

Systemtic Name: (2S,3R)-3-(4-ethoxyphenyl)-2-phenyl-1-piperidin-1-ium-1-yl-octan-3-ol Openeye Name: (2S,3R)-3-(4-ethoxyphenyl)-2-phenyl-1-piperidin-1-ium-1-yl-octan-3-ol CAS Name: (2S,3R)-3-(4-ethoxyphenyl)-2-phenyl-1-(1-piperidin-1-iumyl)-3-octanol IUPAC Name: (2S,3R)-3-(4-ethoxyphenyl)-2-phenyl-1-piperidin-1-ium-1-yloctan-3-ol Traditional Name: (2S,3R)-2-phenyl-1-piperidin-1-ium-1-yl-3-p-phenetyl-octan-3-ol Formula: C27H40NO2+ MolecularWeight: 410.612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=C(C=C1)OCC)(C(C[NH+]2CCCCC2)C3=CC=CC=C3)O

Isomeric SMILES

CCCCC[C@](C1=CC=C(C=C1)OCC)([C@H](C[NH+]2CCCCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C27H39NO2/c1-3-5-10-19-27(29,24-15-17-25(18-16-24)30-4-2)26(23-13-8-6-9-14-23)22-28-20-11-7-12-21-28/h6,8-9,13-18,26,29H,3-5,7,10-12,19-22H2,1-2H3/p+1/t26-,27+/m1/s1