2-[(2S)-4-[(3-methylphenyl)methyl]-1-[(4-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(3-methylphenyl)methyl]-1-[(4-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(m-tolylmethyl)-1-(p-tolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3-methylphenyl)methyl]-1-[(4-methylphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3-methylphenyl)methyl]-1-[(4-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(3-methylbenzyl)-1-(4-methylbenzyl)piperazin-4-ium-2-yl]ethanol Formula: C22H31N2O+ MolecularWeight: 339.49434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC[NH+](CC2CCO)CC3=CC=CC(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC=CC(=C3)C

InChI

InChI=1S/C22H30N2O/c1-18-6-8-20(9-7-18)16-24-12-11-23(17-22(24)10-13-25)15-21-5-3-4-19(2)14-21/h3-9,14,22,25H,10-13,15-17H2,1-2H3/p+1/t22-/m0/s1