(1S,2S)-2-(4-chloranyl-2-methyl-phenoxy)-1-(4-ethoxyphenyl)-1-(4-methylphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol

Systemtic Name: (1S,2S)-2-(4-chloranyl-2-methyl-phenoxy)-1-(4-ethoxyphenyl)-1-(4-methylphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol Openeye Name: (1S,2S)-2-(4-chloro-2-methyl-phenoxy)-1-(4-ethoxyphenyl)-1-(p-tolyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol CAS Name: (1S,2S)-2-(4-chloro-2-methylphenoxy)-1-(4-ethoxyphenyl)-1-(4-methylphenyl)-3-(1-pyrrolidin-1-iumyl)-1-propanol IUPAC Name: (1S,2S)-2-(4-chloro-2-methylphenoxy)-1-(4-ethoxyphenyl)-1-(4-methylphenyl)-3-pyrrolidin-1-ium-1-ylpropan-1-ol Traditional Name: (1S,2S)-2-(4-chloro-2-methyl-phenoxy)-1-p-phenetyl-1-(p-tolyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol Formula: C29H35ClNO3+ MolecularWeight: 481.0461

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C(C[NH+]3CCCC3)OC4=C(C=C(C=C4)Cl)C)O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@](C2=CC=C(C=C2)C)([C@H](C[NH+]3CCCC3)OC4=C(C=C(C=C4)Cl)C)O

InChI

InChI=1S/C29H34ClNO3/c1-4-33-26-14-11-24(12-15-26)29(32,23-9-7-21(2)8-10-23)28(20-31-17-5-6-18-31)34-27-16-13-25(30)19-22(27)3/h7-16,19,28,32H,4-6,17-18,20H2,1-3H3/p+1/t28-,29-/m0/s1