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

Systemtic Name: (2S,3S)-3-(4-ethylphenyl)-2-phenyl-1-piperidin-1-ium-1-yl-octan-3-ol Openeye Name: (2S,3S)-3-(4-ethylphenyl)-2-phenyl-1-piperidin-1-ium-1-yl-octan-3-ol CAS Name: (2S,3S)-3-(4-ethylphenyl)-2-phenyl-1-(1-piperidin-1-iumyl)-3-octanol IUPAC Name: (2S,3S)-3-(4-ethylphenyl)-2-phenyl-1-piperidin-1-ium-1-yloctan-3-ol Traditional Name: (2S,3S)-3-(4-ethylphenyl)-2-phenyl-1-piperidin-1-ium-1-yl-octan-3-ol Formula: C27H40NO+ MolecularWeight: 394.6126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39NO/c1-3-5-10-19-27(29,25-17-15-23(4-2)16-18-25)26(24-13-8-6-9-14-24)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