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

Systemtic Name: 2-[(2S)-4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-[(5-methyl-2-furyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-[(5-methyl-2-furanyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-[(5-methyl-2-furyl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C22H35N4O2+ MolecularWeight: 387.5389

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCN(CC2CCO)CC3=C(NN=C3)C4CCCCC4

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCN(C[C@@H]2CCO)CC3=C(NN=C3)C4CCCCC4

InChI

InChI=1S/C22H34N4O2/c1-17-7-8-21(28-17)16-26-11-10-25(15-20(26)9-12-27)14-19-13-23-24-22(19)18-5-3-2-4-6-18/h7-8,13,18,20,27H,2-6,9-12,14-16H2,1H3,(H,23,24)/p+1/t20-/m0/s1