(2S)-2-[(2R,5S)-2-phenethyl-5-prop-2-enyl-pyrrolidin-1-ium-1-yl]-2-phenyl-ethanol

Systemtic Name: (2S)-2-[(2R,5S)-2-phenethyl-5-prop-2-enyl-pyrrolidin-1-ium-1-yl]-2-phenyl-ethanol Openeye Name: (2S)-2-[(2S,5R)-2-allyl-5-phenethyl-pyrrolidin-1-ium-1-yl]-2-phenyl-ethanol CAS Name: (2S)-2-[(2R,5S)-2-phenethyl-5-prop-2-enyl-1-pyrrolidin-1-iumyl]-2-phenylethanol IUPAC Name: (2S)-2-[(2R,5S)-2-phenethyl-5-prop-2-enylpyrrolidin-1-ium-1-yl]-2-phenylethanol Traditional Name: (2S)-2-[(2S,5R)-2-allyl-5-phenethyl-pyrrolidin-1-ium-1-yl]-2-phenyl-ethanol Formula: C23H30NO+ MolecularWeight: 336.4904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC1CCC([NH+]1C(CO)C2=CC=CC=C2)CCC3=CC=CC=C3

Isomeric SMILES

C=CC[C@@H]1CC[C@H]([NH+]1[C@H](CO)C2=CC=CC=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C23H29NO/c1-2-9-21-16-17-22(15-14-19-10-5-3-6-11-19)24(21)23(18-25)20-12-7-4-8-13-20/h2-8,10-13,21-23,25H,1,9,14-18H2/p+1/t21-,22-,23-/m1/s1