2-[(2S)-1-cyclohexyl-4-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-cyclohexyl-4-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclohexyl-4-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclohexyl-4-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclohexyl-4-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclohexyl-4-(4-ethoxy-3-methylol-benzyl)piperazin-1-ium-2-yl]ethanol Formula: C22H37N2O3+ MolecularWeight: 377.54078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2CC[NH+](C(C2)CCO)C3CCCCC3)CO

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2CC[NH+]([C@H](C2)CCO)C3CCCCC3)CO

InChI

InChI=1S/C22H36N2O3/c1-2-27-22-9-8-18(14-19(22)17-26)15-23-11-12-24(21(16-23)10-13-25)20-6-4-3-5-7-20/h8-9,14,20-21,25-26H,2-7,10-13,15-17H2,1H3/p+1/t21-/m0/s1