[(2S)-heptan-2-yl]-[2-(2-methylpropanoylamino)ethyl]azanium

Systemtic Name: [(2S)-heptan-2-yl]-[2-(2-methylpropanoylamino)ethyl]azanium Openeye Name: [(1S)-1-methylhexyl]-[2-(2-methylpropanoylamino)ethyl]ammonium CAS Name: [(2S)-heptan-2-yl]-[2-[(2-methyl-1-oxopropyl)amino]ethyl]ammonium IUPAC Name: [(2S)-heptan-2-yl]-[2-(2-methylpropanoylamino)ethyl]azanium Traditional Name: 2-(isobutyrylamino)ethyl-[(1S)-1-methylhexyl]ammonium Formula: C13H29N2O+ MolecularWeight: 229.38216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)[NH2+]CCNC(=O)C(C)C

Isomeric SMILES

CCCCC[C@H](C)[NH2+]CCNC(=O)C(C)C

InChI

InChI=1S/C13H28N2O/c1-5-6-7-8-12(4)14-9-10-15-13(16)11(2)3/h11-12,14H,5-10H2,1-4H3,(H,15,16)/p+1/t12-/m0/s1