(1S,2S)-1,2-diphenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol

Systemtic Name: (1S,2S)-1,2-diphenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol Openeye Name: (1S,2S)-1,2-diphenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol CAS Name: (1S,2S)-1,2-diphenyl-1-(4-propoxyphenyl)-3-(1-pyrrolidin-1-iumyl)-1-propanol IUPAC Name: (1S,2S)-1,2-diphenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ium-1-ylpropan-1-ol Traditional Name: (1S,2S)-1,2-diphenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol Formula: C28H34NO2+ MolecularWeight: 416.57506

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C[NH+]3CCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@@](C2=CC=CC=C2)([C@H](C[NH+]3CCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C28H33NO2/c1-2-21-31-26-17-15-25(16-18-26)28(30,24-13-7-4-8-14-24)27(22-29-19-9-10-20-29)23-11-5-3-6-12-23/h3-8,11-18,27,30H,2,9-10,19-22H2,1H3/p+1/t27-,28+/m1/s1