[(2S,3S)-1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-3-methyl-pentan-2-yl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C[NH+]1C(CCCC1C)C)[NH3+]

Isomeric SMILES

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

InChI

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