(1S,2S)-2-[4-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)methyl]piperazin-4-ium-1-yl]cyclohexan-1-ol

Systemtic Name: (1S,2S)-2-[4-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)methyl]piperazin-4-ium-1-yl]cyclohexan-1-ol Openeye Name: (1S,2S)-2-[4-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)methyl]piperazin-4-ium-1-yl]cyclohexanol CAS Name: (1S,2S)-2-[4-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)methyl]-1-piperazin-4-iumyl]-1-cyclohexanol IUPAC Name: (1S,2S)-2-[4-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)methyl]piperazin-4-ium-1-yl]cyclohexan-1-ol Traditional Name: (1S,2S)-2-[4-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)methyl]piperazin-4-ium-1-yl]cyclohexanol Formula: C17H31N4O+ MolecularWeight: 307.45424

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=C1C)C[NH+]2CCN(CC2)C3CCCCC3O

Isomeric SMILES

CCC1=NNC(=C1C)C[NH+]2CCN(CC2)[C@H]3CCCC[C@@H]3O

InChI

InChI=1S/C17H30N4O/c1-3-14-13(2)15(19-18-14)12-20-8-10-21(11-9-20)16-6-4-5-7-17(16)22/h16-17,22H,3-12H2,1-2H3,(H,18,19)/p+1/t16-,17-/m0/s1