2-[(2S)-1-(3-methylbut-2-enyl)-4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(1-methyl-4-pyrazolyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C16H29N4O+ MolecularWeight: 293.42766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N4O/c1-14(2)4-6-20-8-7-19(13-16(20)5-9-21)12-15-10-17-18(3)11-15/h4,10-11,16,21H,5-9,12-13H2,1-3H3/p+1/t16-/m0/s1