[(3S,4S)-3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]heptan-4-yl]azanium

Systemtic Name: [(3S,4S)-3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]heptan-4-yl]azanium Openeye Name: [(1S,2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-propyl-butyl]ammonium CAS Name: [(3S,4S)-3-[(3S,5R)-3,5-dimethyl-1-piperidin-1-iumyl]heptan-4-yl]ammonium IUPAC Name: [(3S,4S)-3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]heptan-4-yl]azanium Traditional Name: [(1S,2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1-propyl-butyl]ammonium Formula: C14H32N2+2 MolecularWeight: 228.41728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H30N2/c1-5-7-13(15)14(6-2)16-9-11(3)8-12(4)10-16/h11-14H,5-10,15H2,1-4H3/p+2/t11-,12+,13-,14-/m0/s1