2-[(2S)-1-[(4-methylphenyl)methyl]-4-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(4-methylphenyl)methyl]-4-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(6-methyl-2-pyridyl)methyl]-1-(p-tolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-methylphenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-methylphenyl)methyl]-4-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-methylbenzyl)-4-[(6-methyl-2-pyridyl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C21H30N3O+ MolecularWeight: 340.4824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O/c1-17-6-8-19(9-7-17)14-24-12-11-23(16-21(24)10-13-25)15-20-5-3-4-18(2)22-20/h3-9,21,25H,10-16H2,1-2H3/p+1/t21-/m0/s1