2-[(2S)-1-cyclohexyl-4-[[3-(ethoxymethyl)-4-methoxy-phenyl]methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-cyclohexyl-4-[[3-(ethoxymethyl)-4-methoxy-phenyl]methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclohexyl-4-[[3-(ethoxymethyl)-4-methoxy-phenyl]methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclohexyl-4-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclohexyl-4-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclohexyl-4-[3-(ethoxymethyl)-4-methoxy-benzyl]piperazin-1-ium-2-yl]ethanol Formula: C23H39N2O3+ MolecularWeight: 391.56736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)CN2CC[NH+](C(C2)CCO)C3CCCCC3)OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)CN2CC[NH+]([C@H](C2)CCO)C3CCCCC3)OC

InChI

InChI=1S/C23H38N2O3/c1-3-28-18-20-15-19(9-10-23(20)27-2)16-24-12-13-25(22(17-24)11-14-26)21-7-5-4-6-8-21/h9-10,15,21-22,26H,3-8,11-14,16-18H2,1-2H3/p+1/t22-/m0/s1