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

Systemtic Name: 2-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-6-ethoxy-phenol Openeye Name: 2-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-6-ethoxy-phenol CAS Name: 2-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)-1-piperazin-4-iumyl]methyl]-6-ethoxyphenol IUPAC Name: 2-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-6-ethoxyphenol Traditional Name: 2-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-6-ethoxy-phenol Formula: C21H35N2O3+ MolecularWeight: 363.5142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)CN2CC[NH+](C(C2)CCO)C3CCCCC3

Isomeric SMILES

CCOC1=CC=CC(=C1O)CN2CC[NH+]([C@H](C2)CCO)C3CCCCC3

InChI

InChI=1S/C21H34N2O3/c1-2-26-20-10-6-7-17(21(20)25)15-22-12-13-23(19(16-22)11-14-24)18-8-4-3-5-9-18/h6-7,10,18-19,24-25H,2-5,8-9,11-16H2,1H3/p+1/t19-/m0/s1