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

Systemtic Name: 2-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-6-methoxy-phenol Openeye Name: 2-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-6-methoxy-phenol CAS Name: 2-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)-1-piperazin-4-iumyl]methyl]-6-methoxyphenol IUPAC Name: 2-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-6-methoxyphenol Traditional Name: 2-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-6-methoxy-phenol Formula: C20H33N2O3+ MolecularWeight: 349.48762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)CN2CC[NH+](C(C2)CCO)C3CCCCC3

Isomeric SMILES

COC1=CC=CC(=C1O)CN2CC[NH+]([C@H](C2)CCO)C3CCCCC3

InChI

InChI=1S/C20H32N2O3/c1-25-19-9-5-6-16(20(19)24)14-21-11-12-22(18(15-21)10-13-23)17-7-3-2-4-8-17/h5-6,9,17-18,23-24H,2-4,7-8,10-15H2,1H3/p+1/t18-/m0/s1