2-[(2S)-1-(cyclohexylmethyl)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C20H37N4O+ MolecularWeight: 349.53398

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)CN2CC[NH+](C(C2)CCO)CC3CCCCC3)C

Isomeric SMILES

CCN1C(=C(C=N1)CN2CC[NH+]([C@H](C2)CCO)CC3CCCCC3)C

InChI

InChI=1S/C20H36N4O/c1-3-24-17(2)19(13-21-24)15-22-10-11-23(20(16-22)9-12-25)14-18-7-5-4-6-8-18/h13,18,20,25H,3-12,14-16H2,1-2H3/p+1/t20-/m0/s1