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heptan-4-yl-[(2S)-pentan-2-yl]azanium

heptan-4-yl-[(2S)-pentan-2-yl]azanium

Systemtic Name:heptan-4-yl-[(2S)-pentan-2-yl]azanium
Openeye Name:[(1S)-1-methylbutyl]-(1-propylbutyl)ammonium
CAS Name:heptan-4-yl-[(2S)-pentan-2-yl]ammonium
IUPAC Name:heptan-4-yl-[(2S)-pentan-2-yl]azanium
Traditional Name:[(1S)-1-methylbutyl]-(1-propylbutyl)ammonium
Formula: C12H28N+
MolecularWeight: 186.35742
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)[NH2+]C(CCC)CCC


Isomeric SMILES

CCC[C@H](C)[NH2+]C(CCC)CCC


InChI

InChI=1S/C12H27N/c1-5-8-11(4)13-12(9-6-2)10-7-3/h11-13H,5-10H2,1-4H3/p+1/t11-/m0/s1


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