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

Systemtic Name: 2-[(2S)-4-(cyclohexylmethyl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(cyclohexylmethyl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(cyclohexylmethyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(cyclohexylmethyl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(cyclohexylmethyl)-1-(3,5-dimethoxybenzyl)piperazin-4-ium-2-yl]ethanol Formula: C22H37N2O3+ MolecularWeight: 377.54078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2CC[NH+](CC2CCO)CC3CCCCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)CC3CCCCC3)OC

InChI

InChI=1S/C22H36N2O3/c1-26-21-12-19(13-22(14-21)27-2)16-24-10-9-23(17-20(24)8-11-25)15-18-6-4-3-5-7-18/h12-14,18,20,25H,3-11,15-17H2,1-2H3/p+1/t20-/m0/s1