2-[(2S)-4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-(phenylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-(phenylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-benzyl-4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-1-(phenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-benzyl-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-benzyl-4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]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)C[NH+]2CCN(C(C2)CCO)CC3=CC=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O/c1-4-25-18(3)21(17(2)22-25)16-23-11-12-24(20(15-23)10-13-26)14-19-8-6-5-7-9-19/h5-9,20,26H,4,10-16H2,1-3H3/p+1/t20-/m0/s1