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

Systemtic Name: (2S,3R)-2-[2,4-bis(chloranyl)phenoxy]-3-(4-methylphenyl)-1-pyrrolidin-1-ium-1-yl-hexan-3-ol Openeye Name: (2S,3R)-2-(2,4-dichlorophenoxy)-3-(p-tolyl)-1-pyrrolidin-1-ium-1-yl-hexan-3-ol CAS Name: (2S,3R)-2-(2,4-dichlorophenoxy)-3-(4-methylphenyl)-1-(1-pyrrolidin-1-iumyl)-3-hexanol IUPAC Name: (2S,3R)-2-(2,4-dichlorophenoxy)-3-(4-methylphenyl)-1-pyrrolidin-1-ium-1-ylhexan-3-ol Traditional Name: (2S,3R)-2-(2,4-dichlorophenoxy)-3-(p-tolyl)-1-pyrrolidin-1-ium-1-yl-hexan-3-ol Formula: C23H30Cl2NO2+ MolecularWeight: 423.3958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29Cl2NO2/c1-3-12-23(27,18-8-6-17(2)7-9-18)22(16-26-13-4-5-14-26)28-21-11-10-19(24)15-20(21)25/h6-11,15,22,27H,3-5,12-14,16H2,1-2H3/p+1/t22-,23+/m0/s1