2-[(2S)-1-cyclohexyl-4-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-cyclohexyl-4-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclohexyl-4-[(2,4-dimethyl-6-pyrazol-1-yl-phenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclohexyl-4-[[2,4-dimethyl-6-(1-pyrazolyl)phenyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclohexyl-4-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclohexyl-4-(2,4-dimethyl-6-pyrazol-1-yl-benzyl)piperazin-1-ium-2-yl]ethanol Formula: C24H37N4O+ MolecularWeight: 397.57678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)N2C=CC=N2)CN3CC[NH+](C(C3)CCO)C4CCCCC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)N2C=CC=N2)CN3CC[NH+]([C@H](C3)CCO)C4CCCCC4)C

InChI

InChI=1S/C24H36N4O/c1-19-15-20(2)23(24(16-19)28-11-6-10-25-28)18-26-12-13-27(22(17-26)9-14-29)21-7-4-3-5-8-21/h6,10-11,15-16,21-22,29H,3-5,7-9,12-14,17-18H2,1-2H3/p+1/t22-/m0/s1