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

Systemtic Name: (2S,3R)-2-(4-chloranyl-2-methyl-phenoxy)-3-(4-ethoxyphenyl)-1-pyrrolidin-1-ium-1-yl-octan-3-ol Openeye Name: (2S,3R)-2-(4-chloro-2-methyl-phenoxy)-3-(4-ethoxyphenyl)-1-pyrrolidin-1-ium-1-yl-octan-3-ol CAS Name: (2S,3R)-2-(4-chloro-2-methylphenoxy)-3-(4-ethoxyphenyl)-1-(1-pyrrolidin-1-iumyl)-3-octanol IUPAC Name: (2S,3R)-2-(4-chloro-2-methylphenoxy)-3-(4-ethoxyphenyl)-1-pyrrolidin-1-ium-1-yloctan-3-ol Traditional Name: (2S,3R)-2-(4-chloro-2-methyl-phenoxy)-3-p-phenetyl-1-pyrrolidin-1-ium-1-yl-octan-3-ol Formula: C27H39ClNO3+ MolecularWeight: 461.05646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38ClNO3/c1-4-6-7-16-27(30,22-10-13-24(14-11-22)31-5-2)26(20-29-17-8-9-18-29)32-25-15-12-23(28)19-21(25)3/h10-15,19,26,30H,4-9,16-18,20H2,1-3H3/p+1/t26-,27+/m0/s1