[(3S,4S)-4-azaniumylheptan-3-yl]-dimethyl-azanium

Systemtic Name: [(3S,4S)-4-azaniumylheptan-3-yl]-dimethyl-azanium Openeye Name: [(1S,2S)-2-azaniumyl-1-ethyl-pentyl]-dimethyl-ammonium CAS Name: [(3S,4S)-4-ammonioheptan-3-yl]-dimethylammonium IUPAC Name: [(3S,4S)-4-azaniumylheptan-3-yl]-dimethylazanium Traditional Name: [(1S,2S)-2-ammonio-1-ethyl-pentyl]-dimethyl-ammonium Formula: C9H24N2+2 MolecularWeight: 160.30026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H22N2/c1-5-7-8(10)9(6-2)11(3)4/h8-9H,5-7,10H2,1-4H3/p+2/t8-,9-/m0/s1