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

Systemtic Name: [(2S,3S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-3-methyl-pentan-2-yl]azanium Openeye Name: [(1S,2S)-1-[[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-2-methyl-butyl]ammonium CAS Name: [(2S,3S)-1-[(3S,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-3-methylpentan-2-yl]ammonium IUPAC Name: [(2S,3S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-3-methylpentan-2-yl]azanium Traditional Name: [(1S,2S)-1-[[(3S,5R)-3,5-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+]1CC(CC(C1)C)C)[NH3+]

Isomeric SMILES

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

InChI

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