2-[(2S)-1-(cyclohexylmethyl)-4-[(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(3,5-dimethyl-1-propan-2-yl-4-pyrazolyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C22H41N4O+ MolecularWeight: 377.58714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C)C)CN2CC[NH+](C(C2)CCO)CC3CCCCC3

Isomeric SMILES

CC1=C(C(=NN1C(C)C)C)CN2CC[NH+]([C@H](C2)CCO)CC3CCCCC3

InChI

InChI=1S/C22H40N4O/c1-17(2)26-19(4)22(18(3)23-26)16-24-11-12-25(21(15-24)10-13-27)14-20-8-6-5-7-9-20/h17,20-21,27H,5-16H2,1-4H3/p+1/t21-/m0/s1