(2S)-2-[(2R,5R)-2,5-dipentylpyrrolidin-1-ium-1-yl]-2-phenyl-ethanol

Systemtic Name: (2S)-2-[(2R,5R)-2,5-dipentylpyrrolidin-1-ium-1-yl]-2-phenyl-ethanol Openeye Name: (2S)-2-[(2R,5R)-2,5-dipentylpyrrolidin-1-ium-1-yl]-2-phenyl-ethanol CAS Name: (2S)-2-[(2R,5R)-2,5-dipentyl-1-pyrrolidin-1-iumyl]-2-phenylethanol IUPAC Name: (2S)-2-[(2R,5R)-2,5-dipentylpyrrolidin-1-ium-1-yl]-2-phenylethanol Traditional Name: (2S)-2-[(2R,5R)-2,5-diamylpyrrolidin-1-ium-1-yl]-2-phenyl-ethanol Formula: C22H38NO+ MolecularWeight: 332.54322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC([NH+]1C(CO)C2=CC=CC=C2)CCCCC

Isomeric SMILES

CCCCC[C@@H]1CC[C@H]([NH+]1[C@H](CO)C2=CC=CC=C2)CCCCC

InChI

InChI=1S/C22H37NO/c1-3-5-8-14-20-16-17-21(15-9-6-4-2)23(20)22(18-24)19-12-10-7-11-13-19/h7,10-13,20-22,24H,3-6,8-9,14-18H2,1-2H3/p+1/t20-,21-,22-/m1/s1