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

Systemtic Name: (2S,3S)-2-phenyl-3-(4-propoxyphenyl)-1-pyrrolidin-1-ium-1-yl-pentan-3-ol Openeye Name: (2S,3S)-2-phenyl-3-(4-propoxyphenyl)-1-pyrrolidin-1-ium-1-yl-pentan-3-ol CAS Name: (2S,3S)-2-phenyl-3-(4-propoxyphenyl)-1-(1-pyrrolidin-1-iumyl)-3-pentanol IUPAC Name: (2S,3S)-2-phenyl-3-(4-propoxyphenyl)-1-pyrrolidin-1-ium-1-ylpentan-3-ol Traditional Name: (2S,3S)-2-phenyl-3-(4-propoxyphenyl)-1-pyrrolidin-1-ium-1-yl-pentan-3-ol Formula: C24H34NO2+ MolecularWeight: 368.53226

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(CC)(C(C[NH+]2CCCC2)C3=CC=CC=C3)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@](CC)([C@H](C[NH+]2CCCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C24H33NO2/c1-3-18-27-22-14-12-21(13-15-22)24(26,4-2)23(19-25-16-8-9-17-25)20-10-6-5-7-11-20/h5-7,10-15,23,26H,3-4,8-9,16-19H2,1-2H3/p+1/t23-,24-/m1/s1