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

Systemtic Name: (1S,2S)-2-(4-chloranyl-2-methyl-phenoxy)-1-(4-ethoxyphenyl)-1-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol Openeye Name: (1S,2S)-2-(4-chloro-2-methyl-phenoxy)-1-(4-ethoxyphenyl)-1-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol CAS Name: (1S,2S)-2-(4-chloro-2-methylphenoxy)-1-(4-ethoxyphenyl)-1-phenyl-3-(1-pyrrolidin-1-iumyl)-1-propanol IUPAC Name: (1S,2S)-2-(4-chloro-2-methylphenoxy)-1-(4-ethoxyphenyl)-1-phenyl-3-pyrrolidin-1-ium-1-ylpropan-1-ol Traditional Name: (1S,2S)-2-(4-chloro-2-methyl-phenoxy)-1-phenyl-1-p-phenetyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol Formula: C28H33ClNO3+ MolecularWeight: 467.01952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32ClNO3/c1-3-32-25-14-11-23(12-15-25)28(31,22-9-5-4-6-10-22)27(20-30-17-7-8-18-30)33-26-16-13-24(29)19-21(26)2/h4-6,9-16,19,27,31H,3,7-8,17-18,20H2,1-2H3/p+1/t27-,28-/m0/s1