(2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-5-phenyl-1-piperidin-1-ium-1-yl-pentan-3-ol

Systemtic Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-5-phenyl-1-piperidin-1-ium-1-yl-pentan-3-ol Openeye Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-5-phenyl-1-piperidin-1-ium-1-yl-pentan-3-ol CAS Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-5-phenyl-1-(1-piperidin-1-iumyl)-3-pentanol IUPAC Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-5-phenyl-1-piperidin-1-ium-1-ylpentan-3-ol Traditional Name: (2S,3S)-2-(4-chlorophenyl)-5-phenyl-1-piperidin-1-ium-1-yl-3-p-phenetyl-pentan-3-ol Formula: C30H37ClNO2+ MolecularWeight: 479.07328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CCC2=CC=CC=C2)(C(C[NH+]3CCCCC3)C4=CC=C(C=C4)Cl)O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@](CCC2=CC=CC=C2)([C@H](C[NH+]3CCCCC3)C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C30H36ClNO2/c1-2-34-28-17-13-26(14-18-28)30(33,20-19-24-9-5-3-6-10-24)29(23-32-21-7-4-8-22-32)25-11-15-27(31)16-12-25/h3,5-6,9-18,29,33H,2,4,7-8,19-23H2,1H3/p+1/t29-,30-/m1/s1