2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1-ethyl-4-pyrazolyl)methyl]-1-(3-phenylpropyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)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)CCCC3=CC=CC=C3

Isomeric SMILES

CCN1C=C(C=N1)C[NH+]2CCN([C@H](C2)CCO)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H32N4O/c1-2-25-17-20(15-22-25)16-23-12-13-24(21(18-23)10-14-26)11-6-9-19-7-4-3-5-8-19/h3-5,7-8,15,17,21,26H,2,6,9-14,16,18H2,1H3/p+1/t21-/m0/s1