[(3R,4S)-4-azaniumylheptan-3-yl]-butyl-ethyl-azanium

Systemtic Name: [(3R,4S)-4-azaniumylheptan-3-yl]-butyl-ethyl-azanium Openeye Name: [(1R,2S)-2-azaniumyl-1-ethyl-pentyl]-butyl-ethyl-ammonium CAS Name: [(3R,4S)-4-ammonioheptan-3-yl]-butyl-ethylammonium IUPAC Name: [(3R,4S)-4-azaniumylheptan-3-yl]-butyl-ethylazanium Traditional Name: [(1R,2S)-2-ammonio-1-ethyl-pentyl]-butyl-ethyl-ammonium Formula: C13H32N2+2 MolecularWeight: 216.40658

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC)C(CC)C(CCC)[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C13H30N2/c1-5-9-11-15(8-4)13(7-3)12(14)10-6-2/h12-13H,5-11,14H2,1-4H3/p+2/t12-,13+/m0/s1