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

Systemtic Name: (2S,3S)-2-phenyl-1-piperidin-1-ium-1-yl-3-(4-propoxyphenyl)octan-3-ol Openeye Name: (2S,3S)-2-phenyl-1-piperidin-1-ium-1-yl-3-(4-propoxyphenyl)octan-3-ol CAS Name: (2S,3S)-2-phenyl-1-(1-piperidin-1-iumyl)-3-(4-propoxyphenyl)-3-octanol IUPAC Name: (2S,3S)-2-phenyl-1-piperidin-1-ium-1-yl-3-(4-propoxyphenyl)octan-3-ol Traditional Name: (2S,3S)-2-phenyl-1-piperidin-1-ium-1-yl-3-(4-propoxyphenyl)octan-3-ol Formula: C28H42NO2+ MolecularWeight: 424.63858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41NO2/c1-3-5-10-19-28(30,25-15-17-26(18-16-25)31-22-4-2)27(24-13-8-6-9-14-24)23-29-20-11-7-12-21-29/h6,8-9,13-18,27,30H,3-5,7,10-12,19-23H2,1-2H3/p+1/t27-,28-/m1/s1