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

Systemtic Name: (2S)-2-[(2S,5S)-2-pentyl-5-prop-2-enyl-pyrrolidin-1-ium-1-yl]-2-phenyl-ethanol Openeye Name: (2S)-2-[(2S,5S)-2-allyl-5-pentyl-pyrrolidin-1-ium-1-yl]-2-phenyl-ethanol CAS Name: (2S)-2-[(2S,5S)-2-pentyl-5-prop-2-enyl-1-pyrrolidin-1-iumyl]-2-phenylethanol IUPAC Name: (2S)-2-[(2S,5S)-2-pentyl-5-prop-2-enylpyrrolidin-1-ium-1-yl]-2-phenylethanol Traditional Name: (2S)-2-[(2S,5S)-2-allyl-5-amyl-pyrrolidin-1-ium-1-yl]-2-phenyl-ethanol Formula: C20H32NO+ MolecularWeight: 302.47418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO/c1-3-5-7-13-19-15-14-18(10-4-2)21(19)20(16-22)17-11-8-6-9-12-17/h4,6,8-9,11-12,18-20,22H,2-3,5,7,10,13-16H2,1H3/p+1/t18-,19+,20-/m1/s1