2-[(2S)-4-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isopropyl-4-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[4-methoxy-3-(1-pyrazolylmethyl)phenyl]methyl]-1-propan-2-yl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isopropyl-4-[4-methoxy-3-(pyrazol-1-ylmethyl)benzyl]piperazin-1-ium-2-yl]ethanol Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1CCO)CC2=CC(=C(C=C2)OC)CN3C=CC=N3

Isomeric SMILES

CC(C)[NH+]1CCN(C[C@@H]1CCO)CC2=CC(=C(C=C2)OC)CN3C=CC=N3

InChI

InChI=1S/C21H32N4O2/c1-17(2)25-11-10-23(16-20(25)7-12-26)14-18-5-6-21(27-3)19(13-18)15-24-9-4-8-22-24/h4-6,8-9,13,17,20,26H,7,10-12,14-16H2,1-3H3/p+1/t20-/m0/s1