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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)CN2CC[NH+](C(C2)CCO)C3CCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)O)CN2CC[NH+]([C@H](C2)CCO)C3CCCCC3

InChI

InChI=1S/C20H32N2O3/c1-25-19-7-8-20(24)16(13-19)14-21-10-11-22(18(15-21)9-12-23)17-5-3-2-4-6-17/h7-8,13,17-18,23-24H,2-6,9-12,14-15H2,1H3/p+1/t18-/m0/s1