2-[[(3S)-4-(2,2-dimethylpropyl)-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-5-methoxy-phenol

Systemtic Name: 2-[[(3S)-4-(2,2-dimethylpropyl)-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-5-methoxy-phenol Openeye Name: 2-[[(3S)-4-(2,2-dimethylpropyl)-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-5-methoxy-phenol CAS Name: 2-[[(3S)-4-(2,2-dimethylpropyl)-3-(2-hydroxyethyl)-1-piperazin-4-iumyl]methyl]-5-methoxyphenol IUPAC Name: 2-[[(3S)-4-(2,2-dimethylpropyl)-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-5-methoxyphenol Traditional Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-neopentyl-piperazin-4-ium-1-yl]methyl]-5-methoxy-phenol Formula: C19H33N2O3+ MolecularWeight: 337.47692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2O3/c1-19(2,3)14-21-9-8-20(13-16(21)7-10-22)12-15-5-6-17(24-4)11-18(15)23/h5-6,11,16,22-23H,7-10,12-14H2,1-4H3/p+1/t16-/m0/s1