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

Systemtic Name: 2-[(2S)-1-[(4-methylphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(p-tolylmethyl)-4-(2-pyridylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-methylphenyl)methyl]-4-(2-pyridinylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-methylphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-methylbenzyl)-4-(2-pyridylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C20H28N3O+ MolecularWeight: 326.45582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC[NH+](CC2CCO)CC3=CC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC=CC=N3

InChI

InChI=1S/C20H27N3O/c1-17-5-7-18(8-6-17)14-23-12-11-22(16-20(23)9-13-24)15-19-4-2-3-10-21-19/h2-8,10,20,24H,9,11-16H2,1H3/p+1/t20-/m0/s1