1-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[(1S,3R)-3-methylcyclohexyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]ethanone Formula: C13H25N2O+ MolecularWeight: 225.3504

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CCN(CC2)C(=O)C

Isomeric SMILES

C[C@@H]1CCC[C@@H](C1)[NH+]2CCN(CC2)C(=O)C

InChI

InChI=1S/C13H24N2O/c1-11-4-3-5-13(10-11)15-8-6-14(7-9-15)12(2)16/h11,13H,3-10H2,1-2H3/p+1/t11-,13+/m1/s1