(2S,3S)-2-phenyl-3-(4-propoxyphenyl)-1-pyrrolidin-1-ium-1-yl-hexan-3-ol

Systemtic Name: (2S,3S)-2-phenyl-3-(4-propoxyphenyl)-1-pyrrolidin-1-ium-1-yl-hexan-3-ol Openeye Name: (2S,3S)-2-phenyl-3-(4-propoxyphenyl)-1-pyrrolidin-1-ium-1-yl-hexan-3-ol CAS Name: (2S,3S)-2-phenyl-3-(4-propoxyphenyl)-1-(1-pyrrolidin-1-iumyl)-3-hexanol IUPAC Name: (2S,3S)-2-phenyl-3-(4-propoxyphenyl)-1-pyrrolidin-1-ium-1-ylhexan-3-ol Traditional Name: (2S,3S)-2-phenyl-3-(4-propoxyphenyl)-1-pyrrolidin-1-ium-1-yl-hexan-3-ol Formula: C25H36NO2+ MolecularWeight: 382.55884

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=C(C=C1)OCCC)(C(C[NH+]2CCCC2)C3=CC=CC=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C25H35NO2/c1-3-16-25(27,22-12-14-23(15-13-22)28-19-4-2)24(20-26-17-8-9-18-26)21-10-6-5-7-11-21/h5-7,10-15,24,27H,3-4,8-9,16-20H2,1-2H3/p+1/t24-,25-/m1/s1