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

Systemtic Name: (2S,3S)-3-(4-ethylphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol Openeye Name: (2S,3S)-3-(4-ethylphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol CAS Name: (2S,3S)-3-(4-ethylphenyl)-2-phenyl-1-(1-pyrrolidin-1-iumyl)-3-hexanol IUPAC Name: (2S,3S)-3-(4-ethylphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-ylhexan-3-ol Traditional Name: (2S,3S)-3-(4-ethylphenyl)-2-phenyl-1-pyrrolidin-1-ium-1-yl-hexan-3-ol Formula: C24H34NO+ MolecularWeight: 352.53286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33NO/c1-3-16-24(26,22-14-12-20(4-2)13-15-22)23(19-25-17-8-9-18-25)21-10-6-5-7-11-21/h5-7,10-15,23,26H,3-4,8-9,16-19H2,1-2H3/p+1/t23-,24-/m1/s1