2-[[(3S)-3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-4-ium-1-yl]methyl]phenol

Systemtic Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-isobutyl-piperazin-4-ium-1-yl]methyl]phenol CAS Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-(2-methylpropyl)-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-4-ium-1-yl]methyl]phenol Traditional Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-isobutyl-piperazin-4-ium-1-yl]methyl]phenol Formula: C17H29N2O2+ MolecularWeight: 293.42436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCN(CC1CCO)CC2=CC=CC=C2O

Isomeric SMILES

CC(C)C[NH+]1CCN(C[C@@H]1CCO)CC2=CC=CC=C2O

InChI

InChI=1S/C17H28N2O2/c1-14(2)11-19-9-8-18(13-16(19)7-10-20)12-15-5-3-4-6-17(15)21/h3-6,14,16,20-21H,7-13H2,1-2H3/p+1/t16-/m0/s1