(2S,3R)-2-[2,4-bis(chloranyl)phenoxy]-3-(4-ethoxyphenyl)-5-methyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol

Systemtic Name: (2S,3R)-2-[2,4-bis(chloranyl)phenoxy]-3-(4-ethoxyphenyl)-5-methyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol Openeye Name: (2S,3R)-2-(2,4-dichlorophenoxy)-3-(4-ethoxyphenyl)-5-methyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol CAS Name: (2S,3R)-2-(2,4-dichlorophenoxy)-3-(4-ethoxyphenyl)-5-methyl-1-(1-pyrrolidin-1-iumyl)-3-hexanol IUPAC Name: (2S,3R)-2-(2,4-dichlorophenoxy)-3-(4-ethoxyphenyl)-5-methyl-1-pyrrolidin-1-ium-1-ylhexan-3-ol Traditional Name: (2S,3R)-2-(2,4-dichlorophenoxy)-5-methyl-3-p-phenetyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol Formula: C25H34Cl2NO3+ MolecularWeight: 467.44836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CC(C)C)(C(C[NH+]2CCCC2)OC3=C(C=C(C=C3)Cl)Cl)O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@](CC(C)C)([C@H](C[NH+]2CCCC2)OC3=C(C=C(C=C3)Cl)Cl)O

InChI

InChI=1S/C25H33Cl2NO3/c1-4-30-21-10-7-19(8-11-21)25(29,16-18(2)3)24(17-28-13-5-6-14-28)31-23-12-9-20(26)15-22(23)27/h7-12,15,18,24,29H,4-6,13-14,16-17H2,1-3H3/p+1/t24-,25+/m0/s1