(2S,3R)-2-[2,4-bis(chloranyl)phenoxy]-6-methyl-3-(4-methylphenyl)-1-pyrrolidin-1-ium-1-yl-heptan-3-ol

Systemtic Name: (2S,3R)-2-[2,4-bis(chloranyl)phenoxy]-6-methyl-3-(4-methylphenyl)-1-pyrrolidin-1-ium-1-yl-heptan-3-ol Openeye Name: (2S,3R)-2-(2,4-dichlorophenoxy)-6-methyl-3-(p-tolyl)-1-pyrrolidin-1-ium-1-yl-heptan-3-ol CAS Name: (2S,3R)-2-(2,4-dichlorophenoxy)-6-methyl-3-(4-methylphenyl)-1-(1-pyrrolidin-1-iumyl)-3-heptanol IUPAC Name: (2S,3R)-2-(2,4-dichlorophenoxy)-6-methyl-3-(4-methylphenyl)-1-pyrrolidin-1-ium-1-ylheptan-3-ol Traditional Name: (2S,3R)-2-(2,4-dichlorophenoxy)-6-methyl-3-(p-tolyl)-1-pyrrolidin-1-ium-1-yl-heptan-3-ol Formula: C25H34Cl2NO2+ MolecularWeight: 451.44896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CCC(C)C)(C(C[NH+]2CCCC2)OC3=C(C=C(C=C3)Cl)Cl)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@](CCC(C)C)([C@H](C[NH+]2CCCC2)OC3=C(C=C(C=C3)Cl)Cl)O

InChI

InChI=1S/C25H33Cl2NO2/c1-18(2)12-13-25(29,20-8-6-19(3)7-9-20)24(17-28-14-4-5-15-28)30-23-11-10-21(26)16-22(23)27/h6-11,16,18,24,29H,4-5,12-15,17H2,1-3H3/p+1/t24-,25+/m0/s1