[(2S)-1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-3,3-dimethyl-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-3,3-dimethyl-butan-2-yl]azanium Openeye Name: [(1S)-1-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-2,2-dimethyl-propyl]ammonium CAS Name: [(2S)-1-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]-3,3-dimethylbutan-2-yl]ammonium IUPAC Name: [(2S)-1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-3,3-dimethylbutan-2-yl]azanium Traditional Name: [(1S)-1-[[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-2,2-dimethyl-propyl]ammonium Formula: C13H30N2+2 MolecularWeight: 214.3907

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CC(C(C)(C)C)[NH3+])C

Isomeric SMILES

C[C@H]1CCC[C@@H]([NH+]1C[C@H](C(C)(C)C)[NH3+])C

InChI

InChI=1S/C13H28N2/c1-10-7-6-8-11(2)15(10)9-12(14)13(3,4)5/h10-12H,6-9,14H2,1-5H3/p+2/t10-,11-,12+/m0/s1