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

Systemtic Name: 4-[[(3S)-4-(2,2-dimethylpropyl)-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 4-[[(3S)-4-(2,2-dimethylpropyl)-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]phenol CAS Name: 4-[[(3S)-4-(2,2-dimethylpropyl)-3-(2-hydroxyethyl)-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 4-[[(3S)-4-(2,2-dimethylpropyl)-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]phenol Traditional Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-neopentyl-piperazin-4-ium-1-yl]methyl]phenol Formula: C18H31N2O2+ MolecularWeight: 307.45094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCN(CC1CCO)CC2=CC=C(C=C2)O

Isomeric SMILES

CC(C)(C)C[NH+]1CCN(C[C@@H]1CCO)CC2=CC=C(C=C2)O

InChI

InChI=1S/C18H30N2O2/c1-18(2,3)14-20-10-9-19(13-16(20)8-11-21)12-15-4-6-17(22)7-5-15/h4-7,16,21-22H,8-14H2,1-3H3/p+1/t16-/m0/s1