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

Systemtic Name: 2-[(2S)-1-methyl-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-methyl-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-methyl-4-[(1-phenyl-4-pyrazolyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-methyl-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-methyl-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C17H25N4O+ MolecularWeight: 301.4066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O/c1-19-8-9-20(14-17(19)7-10-22)12-15-11-18-21(13-15)16-5-3-2-4-6-16/h2-6,11,13,17,22H,7-10,12,14H2,1H3/p+1/t17-/m0/s1