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

Systemtic Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(1-methyl-4-pyrazolyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C18H33N4O+ MolecularWeight: 321.48082

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2CC[NH+](C(C2)CCO)CC3CCCCC3

Isomeric SMILES

CN1C=C(C=N1)CN2CC[NH+]([C@H](C2)CCO)CC3CCCCC3

InChI

InChI=1S/C18H32N4O/c1-20-12-17(11-19-20)13-21-8-9-22(18(15-21)7-10-23)14-16-5-3-2-4-6-16/h11-12,16,18,23H,2-10,13-15H2,1H3/p+1/t18-/m0/s1