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

Systemtic Name: (1S,2S)-2-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]cyclohexan-1-ol Openeye Name: (1S,2S)-2-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]cyclohexanol CAS Name: (1S,2S)-2-[4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumyl]-1-cyclohexanol IUPAC Name: (1S,2S)-2-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]cyclohexan-1-ol Traditional Name: (1S,2S)-2-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-yl]cyclohexanol Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N2CC[NH+](CC2)CCC3=CC=NC=C3)O

Isomeric SMILES

C1CC[C@@H]([C@H](C1)N2CC[NH+](CC2)CCC3=CC=NC=C3)O

InChI

InChI=1S/C17H27N3O/c21-17-4-2-1-3-16(17)20-13-11-19(12-14-20)10-7-15-5-8-18-9-6-15/h5-6,8-9,16-17,21H,1-4,7,10-14H2/p+1/t16-,17-/m0/s1