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

Systemtic Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(1-methyl-3-phenyl-4-pyrazolyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH+]1CCN(CC1CCO)CC2=CN(N=C2C3=CC=CC=C3)C)C

Isomeric SMILES

CC(=CC[NH+]1CCN(C[C@@H]1CCO)CC2=CN(N=C2C3=CC=CC=C3)C)C

InChI

InChI=1S/C22H32N4O/c1-18(2)9-11-26-13-12-25(17-21(26)10-14-27)16-20-15-24(3)23-22(20)19-7-5-4-6-8-19/h4-9,15,21,27H,10-14,16-17H2,1-3H3/p+1/t21-/m0/s1