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

Systemtic Name: (1S,2S)-2-[2,4-bis(chloranyl)phenoxy]-1-(4-ethoxyphenyl)-1-(4-methylphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol Openeye Name: (1S,2S)-2-(2,4-dichlorophenoxy)-1-(4-ethoxyphenyl)-1-(p-tolyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol CAS Name: (1S,2S)-2-(2,4-dichlorophenoxy)-1-(4-ethoxyphenyl)-1-(4-methylphenyl)-3-(1-pyrrolidin-1-iumyl)-1-propanol IUPAC Name: (1S,2S)-2-(2,4-dichlorophenoxy)-1-(4-ethoxyphenyl)-1-(4-methylphenyl)-3-pyrrolidin-1-ium-1-ylpropan-1-ol Traditional Name: (1S,2S)-2-(2,4-dichlorophenoxy)-1-p-phenetyl-1-(p-tolyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol Formula: C28H32Cl2NO3+ MolecularWeight: 501.46458

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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)Cl)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)Cl)O

InChI

InChI=1S/C28H31Cl2NO3/c1-3-33-24-13-10-22(11-14-24)28(32,21-8-6-20(2)7-9-21)27(19-31-16-4-5-17-31)34-26-15-12-23(29)18-25(26)30/h6-15,18,27,32H,3-5,16-17,19H2,1-2H3/p+1/t27-,28-/m0/s1