2-[(2S)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-1-(p-tolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-1-[(4-methylphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-1-(4-methylbenzyl)piperazin-4-ium-2-yl]ethanol Formula: C21H33N4O+ MolecularWeight: 357.51292

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C[NH+]2CCN(C(C2)CCO)CC3=CC=C(C=C3)C)C

Isomeric SMILES

CCN1C(=C(C=N1)C[NH+]2CCN([C@H](C2)CCO)CC3=CC=C(C=C3)C)C

InChI

InChI=1S/C21H32N4O/c1-4-25-18(3)20(13-22-25)15-23-10-11-24(21(16-23)9-12-26)14-19-7-5-17(2)6-8-19/h5-8,13,21,26H,4,9-12,14-16H2,1-3H3/p+1/t21-/m0/s1