[(1S,2R,3S)-2,3-dimethylcyclohexyl]-[(3R)-2-oxidanylideneazepan-3-yl]azanium

Systemtic Name: [(1S,2R,3S)-2,3-dimethylcyclohexyl]-[(3R)-2-oxidanylideneazepan-3-yl]azanium Openeye Name: [(1S,2R,3S)-2,3-dimethylcyclohexyl]-[(3R)-2-oxoazepan-3-yl]ammonium CAS Name: [(1S,2R,3S)-2,3-dimethylcyclohexyl]-[(3R)-2-oxo-3-azepanyl]ammonium IUPAC Name: [(1S,2R,3S)-2,3-dimethylcyclohexyl]-[(3R)-2-oxoazepan-3-yl]azanium Traditional Name: [(1S,2R,3S)-2,3-dimethylcyclohexyl]-[(3R)-2-ketoazepan-3-yl]ammonium Formula: C14H27N2O+ MolecularWeight: 239.37698

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)[NH2+]C2CCCCNC2=O

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C)[NH2+][C@@H]2CCCCNC2=O

InChI

InChI=1S/C14H26N2O/c1-10-6-5-8-12(11(10)2)16-13-7-3-4-9-15-14(13)17/h10-13,16H,3-9H2,1-2H3,(H,15,17)/p+1/t10-,11+,12-,13+/m0/s1