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

Systemtic Name: (2S,3R)-2-[2,4-bis(chloranyl)phenoxy]-3-(4-ethoxyphenyl)-1-pyrrolidin-1-ium-1-yl-pentan-3-ol Openeye Name: (2S,3R)-2-(2,4-dichlorophenoxy)-3-(4-ethoxyphenyl)-1-pyrrolidin-1-ium-1-yl-pentan-3-ol CAS Name: (2S,3R)-2-(2,4-dichlorophenoxy)-3-(4-ethoxyphenyl)-1-(1-pyrrolidin-1-iumyl)-3-pentanol IUPAC Name: (2S,3R)-2-(2,4-dichlorophenoxy)-3-(4-ethoxyphenyl)-1-pyrrolidin-1-ium-1-ylpentan-3-ol Traditional Name: (2S,3R)-2-(2,4-dichlorophenoxy)-3-p-phenetyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol Formula: C23H30Cl2NO3+ MolecularWeight: 439.3952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)OCC)(C(C[NH+]2CCCC2)OC3=C(C=C(C=C3)Cl)Cl)O

Isomeric SMILES

CC[C@@](C1=CC=C(C=C1)OCC)([C@H](C[NH+]2CCCC2)OC3=C(C=C(C=C3)Cl)Cl)O

InChI

InChI=1S/C23H29Cl2NO3/c1-3-23(27,17-7-10-19(11-8-17)28-4-2)22(16-26-13-5-6-14-26)29-21-12-9-18(24)15-20(21)25/h7-12,15,22,27H,3-6,13-14,16H2,1-2H3/p+1/t22-,23+/m0/s1