2-[(2S)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-phenethyl-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-phenethylpiperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-1-phenethyl-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)CCC3=CC=CC=C3

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+]2CCN([C@H](C2)CCO)CCC3=CC=CC=C3

InChI

InChI=1S/C21H32N4O/c1-3-25-16-20(18(2)22-25)15-23-12-13-24(21(17-23)10-14-26)11-9-19-7-5-4-6-8-19/h4-8,16,21,26H,3,9-15,17H2,1-2H3/p+1/t21-/m0/s1