(1S,2S)-2-[4-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]cyclohexan-1-ol

Systemtic Name: (1S,2S)-2-[4-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]cyclohexan-1-ol Openeye Name: (1S,2S)-2-[4-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]cyclohexanol CAS Name: (1S,2S)-2-[4-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-piperazin-4-iumyl]-1-cyclohexanol IUPAC Name: (1S,2S)-2-[4-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]cyclohexan-1-ol Traditional Name: (1S,2S)-2-[4-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]cyclohexanol Formula: C15H27N4O+ MolecularWeight: 279.40108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1)C[NH+]2CCN(CC2)C3CCCCC3O

Isomeric SMILES

CC1=C(C=NN1)C[NH+]2CCN(CC2)[C@H]3CCCC[C@@H]3O

InChI

InChI=1S/C15H26N4O/c1-12-13(10-16-17-12)11-18-6-8-19(9-7-18)14-4-2-3-5-15(14)20/h10,14-15,20H,2-9,11H2,1H3,(H,16,17)/p+1/t14-,15-/m0/s1