(1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-2-phenoxy-propan-1-ol

Systemtic Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-2-phenoxy-propan-1-ol Openeye Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-2-phenoxy-propan-1-ol CAS Name: (1R,2S)-3-(1-azepan-1-iumyl)-1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-2-phenoxy-1-propanol IUPAC Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-2-phenoxypropan-1-ol Traditional Name: (1R,2S)-3-(azepan-1-ium-1-yl)-1-(2-methoxyphenyl)-2-phenoxy-1-p-phenetyl-propan-1-ol Formula: C30H38NO4+ MolecularWeight: 476.62702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=CC=CC=C2OC)(C(C[NH+]3CCCCCC3)OC4=CC=CC=C4)O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@](C2=CC=CC=C2OC)([C@H](C[NH+]3CCCCCC3)OC4=CC=CC=C4)O

InChI

InChI=1S/C30H37NO4/c1-3-34-25-19-17-24(18-20-25)30(32,27-15-9-10-16-28(27)33-2)29(35-26-13-7-6-8-14-26)23-31-21-11-4-5-12-22-31/h6-10,13-20,29,32H,3-5,11-12,21-23H2,1-2H3/p+1/t29-,30+/m0/s1