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

Systemtic Name: (1R,2S)-2-[2,4-bis(chloranyl)phenoxy]-1-(4-ethoxyphenyl)-1-(3-methylphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol Openeye Name: (1R,2S)-2-(2,4-dichlorophenoxy)-1-(4-ethoxyphenyl)-1-(m-tolyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol CAS Name: (1R,2S)-2-(2,4-dichlorophenoxy)-1-(4-ethoxyphenyl)-1-(3-methylphenyl)-3-(1-pyrrolidin-1-iumyl)-1-propanol IUPAC Name: (1R,2S)-2-(2,4-dichlorophenoxy)-1-(4-ethoxyphenyl)-1-(3-methylphenyl)-3-pyrrolidin-1-ium-1-ylpropan-1-ol Traditional Name: (1R,2S)-2-(2,4-dichlorophenoxy)-1-(m-tolyl)-1-p-phenetyl-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=CC(=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=CC(=C2)C)([C@H](C[NH+]3CCCC3)OC4=C(C=C(C=C4)Cl)Cl)O

InChI

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