[(1S,2R,3S)-2,3-dimethylcyclohexyl]-[(2S)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]azanium

Systemtic Name: [(1S,2R,3S)-2,3-dimethylcyclohexyl]-[(2S)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]azanium Openeye Name: [(1S,2R,3S)-2,3-dimethylcyclohexyl]-[(1S)-1-methyl-2-oxo-2-(1-piperidyl)ethyl]ammonium CAS Name: [(1S,2R,3S)-2,3-dimethylcyclohexyl]-[(2S)-1-oxo-1-(1-piperidinyl)propan-2-yl]ammonium IUPAC Name: [(1S,2R,3S)-2,3-dimethylcyclohexyl]-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]azanium Traditional Name: [(1S,2R,3S)-2,3-dimethylcyclohexyl]-[(1S)-2-keto-1-methyl-2-piperidino-ethyl]ammonium Formula: C16H31N2O+ MolecularWeight: 267.43014

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)[NH2+]C(C)C(=O)N2CCCCC2

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C)[NH2+][C@@H](C)C(=O)N2CCCCC2

InChI

InChI=1S/C16H30N2O/c1-12-8-7-9-15(13(12)2)17-14(3)16(19)18-10-5-4-6-11-18/h12-15,17H,4-11H2,1-3H3/p+1/t12-,13+,14-,15-/m0/s1