(1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-butoxyphenyl)-1-(4-methylphenyl)-2-phenyl-propan-1-ol

Systemtic Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-butoxyphenyl)-1-(4-methylphenyl)-2-phenyl-propan-1-ol Openeye Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-butoxyphenyl)-2-phenyl-1-(p-tolyl)propan-1-ol CAS Name: (1R,2S)-3-(1-azepan-1-iumyl)-1-(4-butoxyphenyl)-1-(4-methylphenyl)-2-phenyl-1-propanol IUPAC Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-butoxyphenyl)-1-(4-methylphenyl)-2-phenylpropan-1-ol Traditional Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-butoxyphenyl)-2-phenyl-1-(p-tolyl)propan-1-ol Formula: C32H42NO2+ MolecularWeight: 472.68138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C(C[NH+]3CCCCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@](C2=CC=C(C=C2)C)([C@H](C[NH+]3CCCCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C32H41NO2/c1-3-4-24-35-30-20-18-29(19-21-30)32(34,28-16-14-26(2)15-17-28)31(27-12-8-7-9-13-27)25-33-22-10-5-6-11-23-33/h7-9,12-21,31,34H,3-6,10-11,22-25H2,1-2H3/p+1/t31-,32-/m1/s1