[(2S,3S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]pentan-3-yl]azanium

Systemtic Name: [(2S,3S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]pentan-3-yl]azanium Openeye Name: [(1S,2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-ethyl-propyl]ammonium CAS Name: [(2S,3S)-2-[(3S,5R)-3,5-dimethyl-1-piperidin-1-iumyl]pentan-3-yl]ammonium IUPAC Name: [(2S,3S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]pentan-3-yl]azanium Traditional Name: [(1S,2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-ethyl-propyl]ammonium Formula: C12H28N2+2 MolecularWeight: 200.36412

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)[NH+]1CC(CC(C1)C)C)[NH3+]

Isomeric SMILES

CC[C@@H]([C@H](C)[NH+]1C[C@@H](C[C@@H](C1)C)C)[NH3+]

InChI

InChI=1S/C12H26N2/c1-5-12(13)11(4)14-7-9(2)6-10(3)8-14/h9-12H,5-8,13H2,1-4H3/p+2/t9-,10+,11-,12-/m0/s1