(2S)-3-(azepan-1-ium-1-yl)-1,1-bis(4-methylphenyl)-2-phenoxy-propan-1-ol

Systemtic Name: (2S)-3-(azepan-1-ium-1-yl)-1,1-bis(4-methylphenyl)-2-phenoxy-propan-1-ol Openeye Name: (2S)-3-(azepan-1-ium-1-yl)-2-phenoxy-1,1-bis(p-tolyl)propan-1-ol CAS Name: (2S)-3-(1-azepan-1-iumyl)-1,1-bis(4-methylphenyl)-2-phenoxy-1-propanol IUPAC Name: (2S)-3-(azepan-1-ium-1-yl)-1,1-bis(4-methylphenyl)-2-phenoxypropan-1-ol Traditional Name: (2S)-3-(azepan-1-ium-1-yl)-2-phenoxy-1,1-bis(p-tolyl)propan-1-ol Formula: C29H36NO2+ MolecularWeight: 430.60164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C(C[NH+]3CCCCCC3)OC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)([C@H](C[NH+]3CCCCCC3)OC4=CC=CC=C4)O

InChI

InChI=1S/C29H35NO2/c1-23-12-16-25(17-13-23)29(31,26-18-14-24(2)15-19-26)28(32-27-10-6-5-7-11-27)22-30-20-8-3-4-9-21-30/h5-7,10-19,28,31H,3-4,8-9,20-22H2,1-2H3/p+1/t28-/m0/s1