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

Systemtic Name: 2-[(2S)-1-methyl-4-[[1-(phenylmethyl)pyrazol-4-yl]methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-methyl-4-[[1-(phenylmethyl)-4-pyrazolyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-benzylpyrazol-4-yl)methyl]-1-methylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Formula: C18H27N4O+ MolecularWeight: 315.43318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1CCO)CC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(C[C@@H]1CCO)CC2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H26N4O/c1-20-8-9-21(15-18(20)7-10-23)12-17-11-19-22(14-17)13-16-5-3-2-4-6-16/h2-6,11,14,18,23H,7-10,12-13,15H2,1H3/p+1/t18-/m0/s1