(1S,2R)-1-[4-(3-methylbutoxy)phenyl]-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol

Systemtic Name: (1S,2R)-1-[4-(3-methylbutoxy)phenyl]-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol Openeye Name: (1S,2R)-1-(4-isopentyloxyphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol CAS Name: (1S,2R)-1-[4-(3-methylbutoxy)phenyl]-2-phenyl-3-(1-piperidin-1-iumyl)-1-propanol IUPAC Name: (1S,2R)-1-[4-(3-methylbutoxy)phenyl]-2-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol Traditional Name: (1S,2R)-1-(4-isoamoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol Formula: C25H36NO2+ MolecularWeight: 382.55884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(C(C[NH+]2CCCCC2)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)[C@H]([C@@H](C[NH+]2CCCCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C25H35NO2/c1-20(2)15-18-28-23-13-11-22(12-14-23)25(27)24(21-9-5-3-6-10-21)19-26-16-7-4-8-17-26/h3,5-6,9-14,20,24-25,27H,4,7-8,15-19H2,1-2H3/p+1/t24-,25+/m0/s1