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

Systemtic Name: 4-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-2-ethoxy-phenol Openeye Name: 4-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-2-ethoxy-phenol CAS Name: 4-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)-1-piperazin-4-iumyl]methyl]-2-ethoxyphenol IUPAC Name: 4-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-2-ethoxyphenol Traditional Name: 4-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-2-ethoxy-phenol Formula: C21H35N2O3+ MolecularWeight: 363.5142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O3/c1-2-26-21-14-17(8-9-20(21)25)15-22-11-12-23(19(16-22)10-13-24)18-6-4-3-5-7-18/h8-9,14,18-19,24-25H,2-7,10-13,15-16H2,1H3/p+1/t19-/m0/s1