2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-(p-tolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(4-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-ethoxybenzyl)-4-(4-methylbenzyl)piperazin-4-ium-2-yl]ethanol Formula: C23H33N2O2+ MolecularWeight: 369.52032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CC[NH+](CC2CCO)CC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC=C(C=C3)C

InChI

InChI=1S/C23H32N2O2/c1-3-27-23-10-8-21(9-11-23)17-25-14-13-24(18-22(25)12-15-26)16-20-6-4-19(2)5-7-20/h4-11,22,26H,3,12-18H2,1-2H3/p+1/t22-/m0/s1