2-[(2S)-4-(2-hydroxyethyl)-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(2-hydroxyethyl)-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(2-hydroxyethyl)-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(2-hydroxyethyl)-1-(3-methylbut-2-enyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(2-hydroxyethyl)-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2-hydroxyethyl)-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol Formula: C13H27N2O2+ MolecularWeight: 243.36568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H26N2O2/c1-12(2)3-5-15-7-6-14(8-10-17)11-13(15)4-9-16/h3,13,16-17H,4-11H2,1-2H3/p+1/t13-/m0/s1