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

Systemtic Name: (2S,3R)-2-(4-chloranyl-2-methyl-phenoxy)-3-(4-ethoxyphenyl)-1-pyrrolidin-1-ium-1-yl-nonan-3-ol Openeye Name: (2S,3R)-2-(4-chloro-2-methyl-phenoxy)-3-(4-ethoxyphenyl)-1-pyrrolidin-1-ium-1-yl-nonan-3-ol CAS Name: (2S,3R)-2-(4-chloro-2-methylphenoxy)-3-(4-ethoxyphenyl)-1-(1-pyrrolidin-1-iumyl)-3-nonanol IUPAC Name: (2S,3R)-2-(4-chloro-2-methylphenoxy)-3-(4-ethoxyphenyl)-1-pyrrolidin-1-ium-1-ylnonan-3-ol Traditional Name: (2S,3R)-2-(4-chloro-2-methyl-phenoxy)-3-p-phenetyl-1-pyrrolidin-1-ium-1-yl-nonan-3-ol Formula: C28H41ClNO3+ MolecularWeight: 475.08304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40ClNO3/c1-4-6-7-8-17-28(31,23-11-14-25(15-12-23)32-5-2)27(21-30-18-9-10-19-30)33-26-16-13-24(29)20-22(26)3/h11-16,20,27,31H,4-10,17-19,21H2,1-3H3/p+1/t27-,28+/m0/s1