[(2S,3S)-1-(azocan-1-ium-1-yl)-3-methyl-pentan-2-yl]azanium

Systemtic Name: [(2S,3S)-1-(azocan-1-ium-1-yl)-3-methyl-pentan-2-yl]azanium Openeye Name: [(1S,2S)-1-(azocan-1-ium-1-ylmethyl)-2-methyl-butyl]ammonium CAS Name: [(2S,3S)-1-(1-azocan-1-iumyl)-3-methylpentan-2-yl]ammonium IUPAC Name: [(2S,3S)-1-(azocan-1-ium-1-yl)-3-methylpentan-2-yl]azanium Traditional Name: [(1S,2S)-1-(azocan-1-ium-1-ylmethyl)-2-methyl-butyl]ammonium Formula: C13H30N2+2 MolecularWeight: 214.3907

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C[NH+]1CCCCCCC1)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C[NH+]1CCCCCCC1)[NH3+]

InChI

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