2-[(2S)-4-[(E)-2-methyl-3-phenyl-prop-2-enyl]-1-(2-methylpropyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(E)-2-methyl-3-phenyl-prop-2-enyl]-1-(2-methylpropyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isobutyl-4-[(E)-2-methyl-3-phenyl-allyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(E)-2-methyl-3-phenylprop-2-enyl]-1-(2-methylpropyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(E)-2-methyl-3-phenylprop-2-enyl]-1-(2-methylpropyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isobutyl-4-[(E)-2-methyl-3-phenyl-allyl]piperazin-4-ium-2-yl]ethanol Formula: C20H33N2O+ MolecularWeight: 317.48882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC[NH+](CC1CCO)CC(=CC2=CC=CC=C2)C

Isomeric SMILES

CC(C)CN1CC[NH+](C[C@@H]1CCO)C/C(=C/C2=CC=CC=C2)/C

InChI

InChI=1S/C20H32N2O/c1-17(2)14-22-11-10-21(16-20(22)9-12-23)15-18(3)13-19-7-5-4-6-8-19/h4-8,13,17,20,23H,9-12,14-16H2,1-3H3/p+1/b18-13+/t20-/m0/s1