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

Systemtic Name: 2-[(2S)-1-cyclohexyl-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclohexyl-4-[(3-isopropyl-1H-pyrazol-5-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclohexyl-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclohexyl-4-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclohexyl-4-[(3-isopropyl-1H-pyrazol-5-yl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C19H35N4O+ MolecularWeight: 335.5074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NNC(=C1)C[NH+]2CCN(C(C2)CCO)C3CCCCC3

Isomeric SMILES

CC(C)C1=NNC(=C1)C[NH+]2CCN([C@H](C2)CCO)C3CCCCC3

InChI

InChI=1S/C19H34N4O/c1-15(2)19-12-16(20-21-19)13-22-9-10-23(18(14-22)8-11-24)17-6-4-3-5-7-17/h12,15,17-18,24H,3-11,13-14H2,1-2H3,(H,20,21)/p+1/t18-/m0/s1