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

Systemtic Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(1-isopropylpyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(1-propan-2-yl-4-pyrazolyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(1-isopropylpyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C20H37N4O+ MolecularWeight: 349.53398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)CN2CC[NH+](C(C2)CCO)CC3CCCCC3

Isomeric SMILES

CC(C)N1C=C(C=N1)CN2CC[NH+]([C@H](C2)CCO)CC3CCCCC3

InChI

InChI=1S/C20H36N4O/c1-17(2)24-15-19(12-21-24)13-22-9-10-23(20(16-22)8-11-25)14-18-6-4-3-5-7-18/h12,15,17-18,20,25H,3-11,13-14,16H2,1-2H3/p+1/t20-/m0/s1