(2S,3R)-2-(4-chloranyl-2-methyl-phenoxy)-3-(4-methylphenyl)-1-pyrrolidin-1-ium-1-yl-octan-3-ol

Systemtic Name: (2S,3R)-2-(4-chloranyl-2-methyl-phenoxy)-3-(4-methylphenyl)-1-pyrrolidin-1-ium-1-yl-octan-3-ol Openeye Name: (2S,3R)-2-(4-chloro-2-methyl-phenoxy)-3-(p-tolyl)-1-pyrrolidin-1-ium-1-yl-octan-3-ol CAS Name: (2S,3R)-2-(4-chloro-2-methylphenoxy)-3-(4-methylphenyl)-1-(1-pyrrolidin-1-iumyl)-3-octanol IUPAC Name: (2S,3R)-2-(4-chloro-2-methylphenoxy)-3-(4-methylphenyl)-1-pyrrolidin-1-ium-1-yloctan-3-ol Traditional Name: (2S,3R)-2-(4-chloro-2-methyl-phenoxy)-3-(p-tolyl)-1-pyrrolidin-1-ium-1-yl-octan-3-ol Formula: C26H37ClNO2+ MolecularWeight: 431.03048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36ClNO2/c1-4-5-6-15-26(29,22-11-9-20(2)10-12-22)25(19-28-16-7-8-17-28)30-24-14-13-23(27)18-21(24)3/h9-14,18,25,29H,4-8,15-17,19H2,1-3H3/p+1/t25-,26+/m0/s1