2-[(2S)-1-phenethyl-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-phenethyl-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3-isopropyl-1H-pyrazol-5-yl)methyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-phenethyl-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-phenethyl-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(3-isopropyl-1H-pyrazol-5-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:

CC(C)C1=NNC(=C1)C[NH+]2CCN(C(C2)CCO)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NNC(=C1)C[NH+]2CCN([C@H](C2)CCO)CCC3=CC=CC=C3

InChI

InChI=1S/C21H32N4O/c1-17(2)21-14-19(22-23-21)15-24-11-12-25(20(16-24)9-13-26)10-8-18-6-4-3-5-7-18/h3-7,14,17,20,26H,8-13,15-16H2,1-2H3,(H,22,23)/p+1/t20-/m0/s1