2-[(2S)-1-(3-methylbut-2-enyl)-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-isopropylpyrazol-4-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(1-propan-2-yl-4-pyrazolyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-isopropylpyrazol-4-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol Formula: C18H33N4O+ MolecularWeight: 321.48082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)CN2CC[NH+](C(C2)CCO)CC=C(C)C

Isomeric SMILES

CC(C)N1C=C(C=N1)CN2CC[NH+]([C@H](C2)CCO)CC=C(C)C

InChI

InChI=1S/C18H32N4O/c1-15(2)5-7-21-9-8-20(14-18(21)6-10-23)12-17-11-19-22(13-17)16(3)4/h5,11,13,16,18,23H,6-10,12,14H2,1-4H3/p+1/t18-/m0/s1