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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N2CC[NH+](CC2)CCN3C=CC=N3)O

Isomeric SMILES

C1CC[C@@H]([C@H](C1)N2CC[NH+](CC2)CCN3C=CC=N3)O

InChI

InChI=1S/C15H26N4O/c20-15-5-2-1-4-14(15)18-11-8-17(9-12-18)10-13-19-7-3-6-16-19/h3,6-7,14-15,20H,1-2,4-5,8-13H2/p+1/t14-,15-/m0/s1