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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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