2-[(2S)-4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridyl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C23H36N5O+ MolecularWeight: 398.56484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CC[NH+](CC2CCO)CC3=C(NN=C3)C4CCCCC4

Isomeric SMILES

CC1=NC(=CC=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=C(NN=C3)C4CCCCC4

InChI

InChI=1S/C23H35N5O/c1-18-6-5-9-21(25-18)16-28-12-11-27(17-22(28)10-13-29)15-20-14-24-26-23(20)19-7-3-2-4-8-19/h5-6,9,14,19,22,29H,2-4,7-8,10-13,15-17H2,1H3,(H,24,26)/p+1/t22-/m0/s1