(1S,2S)-2-[4-[(6-methylpyridin-3-yl)methyl]piperazin-4-ium-1-yl]cyclohexan-1-ol

Systemtic Name: (1S,2S)-2-[4-[(6-methylpyridin-3-yl)methyl]piperazin-4-ium-1-yl]cyclohexan-1-ol Openeye Name: (1S,2S)-2-[4-[(6-methyl-3-pyridyl)methyl]piperazin-4-ium-1-yl]cyclohexanol CAS Name: (1S,2S)-2-[4-[(6-methyl-3-pyridinyl)methyl]-1-piperazin-4-iumyl]-1-cyclohexanol IUPAC Name: (1S,2S)-2-[4-[(6-methylpyridin-3-yl)methyl]piperazin-4-ium-1-yl]cyclohexan-1-ol Traditional Name: (1S,2S)-2-[4-[(6-methyl-3-pyridyl)methyl]piperazin-4-ium-1-yl]cyclohexanol Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C[NH+]2CCN(CC2)C3CCCCC3O

Isomeric SMILES

CC1=NC=C(C=C1)C[NH+]2CCN(CC2)[C@H]3CCCC[C@@H]3O

InChI

InChI=1S/C17H27N3O/c1-14-6-7-15(12-18-14)13-19-8-10-20(11-9-19)16-4-2-3-5-17(16)21/h6-7,12,16-17,21H,2-5,8-11,13H2,1H3/p+1/t16-,17-/m0/s1