[(3S,4S)-3-piperidin-1-ium-1-ylheptan-4-yl]azanium

Systemtic Name: [(3S,4S)-3-piperidin-1-ium-1-ylheptan-4-yl]azanium Openeye Name: [(1S,2S)-2-piperidin-1-ium-1-yl-1-propyl-butyl]ammonium CAS Name: [(3S,4S)-3-(1-piperidin-1-iumyl)heptan-4-yl]ammonium IUPAC Name: [(3S,4S)-3-piperidin-1-ium-1-ylheptan-4-yl]azanium Traditional Name: [(1S,2S)-2-piperidin-1-ium-1-yl-1-propyl-butyl]ammonium Formula: C12H28N2+2 MolecularWeight: 200.36412

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)[NH+]1CCCCC1)[NH3+]

Isomeric SMILES

CCC[C@@H]([C@H](CC)[NH+]1CCCCC1)[NH3+]

InChI

InChI=1S/C12H26N2/c1-3-8-11(13)12(4-2)14-9-6-5-7-10-14/h11-12H,3-10,13H2,1-2H3/p+2/t11-,12-/m0/s1