2-[(2S)-4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[1-(2-methoxyphenyl)-4-pyrazolyl]methyl]-1-methyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Formula: C18H27N4O2+ MolecularWeight: 331.43258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1CCO)CC2=CN(N=C2)C3=CC=CC=C3OC

Isomeric SMILES

C[NH+]1CCN(C[C@@H]1CCO)CC2=CN(N=C2)C3=CC=CC=C3OC

InChI

InChI=1S/C18H26N4O2/c1-20-8-9-21(14-16(20)7-10-23)12-15-11-19-22(13-15)17-5-3-4-6-18(17)24-2/h3-6,11,13,16,23H,7-10,12,14H2,1-2H3/p+1/t16-/m0/s1