4-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-2,6-dimethyl-phenol

Systemtic Name: 4-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-2,6-dimethyl-phenol Openeye Name: 4-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-2,6-dimethyl-phenol CAS Name: 4-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)-1-piperazin-4-iumyl]methyl]-2,6-dimethylphenol IUPAC Name: 4-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-2,6-dimethylphenol Traditional Name: 4-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-2,6-dimethyl-phenol Formula: C21H35N2O2+ MolecularWeight: 347.5148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CN2CC[NH+](C(C2)CCO)C3CCCCC3

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CN2CC[NH+]([C@H](C2)CCO)C3CCCCC3

InChI

InChI=1S/C21H34N2O2/c1-16-12-18(13-17(2)21(16)25)14-22-9-10-23(20(15-22)8-11-24)19-6-4-3-5-7-19/h12-13,19-20,24-25H,3-11,14-15H2,1-2H3/p+1/t20-/m0/s1