2-[(2S)-1-(2-methylpropyl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(2-methylpropyl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2-allyloxyphenyl)methyl]-1-isobutyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(2-methylpropyl)-4-[(2-prop-2-enoxyphenyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(2-methylpropyl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2-allyloxybenzyl)-1-isobutyl-piperazin-1-ium-2-yl]ethanol Formula: C20H33N2O2+ MolecularWeight: 333.48822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCN(CC1CCO)CC2=CC=CC=C2OCC=C

Isomeric SMILES

CC(C)C[NH+]1CCN(C[C@@H]1CCO)CC2=CC=CC=C2OCC=C

InChI

InChI=1S/C20H32N2O2/c1-4-13-24-20-8-6-5-7-18(20)15-21-10-11-22(14-17(2)3)19(16-21)9-12-23/h4-8,17,19,23H,1,9-16H2,2-3H3/p+1/t19-/m0/s1