[(3S,4S)-3-(azepan-1-ium-1-yl)heptan-4-yl]azanium

Systemtic Name: [(3S,4S)-3-(azepan-1-ium-1-yl)heptan-4-yl]azanium Openeye Name: [(1S,2S)-2-(azepan-1-ium-1-yl)-1-propyl-butyl]ammonium CAS Name: [(3S,4S)-3-(1-azepan-1-iumyl)heptan-4-yl]ammonium IUPAC Name: [(3S,4S)-3-(azepan-1-ium-1-yl)heptan-4-yl]azanium Traditional Name: [(1S,2S)-2-(azepan-1-ium-1-yl)-1-propyl-butyl]ammonium Formula: C13H30N2+2 MolecularWeight: 214.3907

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)[NH+]1CCCCCC1)[NH3+]

Isomeric SMILES

CCC[C@@H]([C@H](CC)[NH+]1CCCCCC1)[NH3+]

InChI

InChI=1S/C13H28N2/c1-3-9-12(14)13(4-2)15-10-7-5-6-8-11-15/h12-13H,3-11,14H2,1-2H3/p+2/t12-,13-/m0/s1