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

Systemtic Name: 2-[(2S)-1-cyclohexyl-4-[(2-methyl-4-pyrazol-1-yl-phenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclohexyl-4-[(2-methyl-4-pyrazol-1-yl-phenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclohexyl-4-[[2-methyl-4-(1-pyrazolyl)phenyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclohexyl-4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclohexyl-4-(2-methyl-4-pyrazol-1-yl-benzyl)piperazin-1-ium-2-yl]ethanol Formula: C23H35N4O+ MolecularWeight: 383.5502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N4O/c1-19-16-22(27-12-5-11-24-27)9-8-20(19)17-25-13-14-26(23(18-25)10-15-28)21-6-3-2-4-7-21/h5,8-9,11-12,16,21,23,28H,2-4,6-7,10,13-15,17-18H2,1H3/p+1/t23-/m0/s1