(2S,3S)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-octan-3-ol

Systemtic Name: (2S,3S)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-octan-3-ol Openeye Name: (2S,3S)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-octan-3-ol CAS Name: (2S,3S)-3-(4-ethoxyphenyl)-2-phenyl-1-(1-pyrrolidin-1-iumyl)-3-octanol IUPAC Name: (2S,3S)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yloctan-3-ol Traditional Name: (2S,3S)-2-phenyl-3-p-phenetyl-1-pyrrolidin-1-ium-1-yl-octan-3-ol Formula: C26H38NO2+ MolecularWeight: 396.58542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37NO2/c1-3-5-9-18-26(28,23-14-16-24(17-15-23)29-4-2)25(21-27-19-10-11-20-27)22-12-7-6-8-13-22/h6-8,12-17,25,28H,3-5,9-11,18-21H2,1-2H3/p+1/t25-,26-/m1/s1