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

Systemtic Name: 2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-(p-tolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1-ethyl-4-pyrazolyl)methyl]-1-[(4-methylphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-(4-methylbenzyl)piperazin-4-ium-2-yl]ethanol Formula: C20H31N4O+ MolecularWeight: 343.48634

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O/c1-3-24-15-19(12-21-24)13-22-9-10-23(20(16-22)8-11-25)14-18-6-4-17(2)5-7-18/h4-7,12,15,20,25H,3,8-11,13-14,16H2,1-2H3/p+1/t20-/m0/s1