2-[(2S)-4-[(3,5-dimethoxyphenyl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(3,5-dimethoxyphenyl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3,5-dimethoxyphenyl)methyl]-1-isobutyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3,5-dimethoxyphenyl)methyl]-1-(2-methylpropyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3,5-dimethoxyphenyl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(3,5-dimethoxybenzyl)-1-isobutyl-piperazin-1-ium-2-yl]ethanol Formula: C19H33N2O3+ MolecularWeight: 337.47692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCN(CC1CCO)CC2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CC(C)C[NH+]1CCN(C[C@@H]1CCO)CC2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C19H32N2O3/c1-15(2)12-21-7-6-20(14-17(21)5-8-22)13-16-9-18(23-3)11-19(10-16)24-4/h9-11,15,17,22H,5-8,12-14H2,1-4H3/p+1/t17-/m0/s1