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

Systemtic Name: (1S,2S)-3-(azepan-1-ium-1-yl)-1-cyclohexyl-1-(4-methylphenyl)-2-phenyl-propan-1-ol Openeye Name: (1S,2S)-3-(azepan-1-ium-1-yl)-1-cyclohexyl-2-phenyl-1-(p-tolyl)propan-1-ol CAS Name: (1S,2S)-3-(1-azepan-1-iumyl)-1-cyclohexyl-1-(4-methylphenyl)-2-phenyl-1-propanol IUPAC Name: (1S,2S)-3-(azepan-1-ium-1-yl)-1-cyclohexyl-1-(4-methylphenyl)-2-phenylpropan-1-ol Traditional Name: (1S,2S)-3-(azepan-1-ium-1-yl)-1-cyclohexyl-2-phenyl-1-(p-tolyl)propan-1-ol Formula: C28H40NO+ MolecularWeight: 406.6233

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2CCCCC2)(C(C[NH+]3CCCCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@](C2CCCCC2)([C@H](C[NH+]3CCCCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C28H39NO/c1-23-16-18-26(19-17-23)28(30,25-14-8-5-9-15-25)27(24-12-6-4-7-13-24)22-29-20-10-2-3-11-21-29/h4,6-7,12-13,16-19,25,27,30H,2-3,5,8-11,14-15,20-22H2,1H3/p+1/t27-,28-/m1/s1