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

Systemtic Name: 2-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-3-methoxy-phenol Openeye Name: 2-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-3-methoxy-phenol CAS Name: 2-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)-1-piperazin-4-iumyl]methyl]-3-methoxyphenol IUPAC Name: 2-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-3-methoxyphenol Traditional Name: 2-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-3-methoxy-phenol Formula: C20H33N2O3+ MolecularWeight: 349.48762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1CN2CC[NH+](C(C2)CCO)C3CCCCC3)O

Isomeric SMILES

COC1=CC=CC(=C1CN2CC[NH+]([C@H](C2)CCO)C3CCCCC3)O

InChI

InChI=1S/C20H32N2O3/c1-25-20-9-5-8-19(24)18(20)15-21-11-12-22(17(14-21)10-13-23)16-6-3-2-4-7-16/h5,8-9,16-17,23-24H,2-4,6-7,10-15H2,1H3/p+1/t17-/m0/s1